smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN1CCC[C@H](OC(=O)CCl)C1	8216050	GHPRRXRAHBPGIW-ZETCQYMHSA-N	191.658	0.863	50	30	ACGC	
COC(=O)[C@@H](N)CCCl	118781151	QPOGJYQAKMZQQO-BYPYZUCNSA-N	151.593	0.116	50	30	ACGC	
CCNC(=O)Cl	39207113	PJLHXSBKGRJXHA-UHFFFAOYSA-N	107.540	0.955	50	30	ACGC	in-vitro
OOOP	2048484321	YYKRUNDMOWRXON-UHFFFAOYSA-N	81.995	0.198	50	30	ACGC	
CC(C)[C@H]1C(N)=C(C#N)CN1C	5285125	NIFYJZXRTQCRRP-VIFPVBQESA-N	165.240	0.693	50	30	ACGC	
NNC(=O)C12CCC(CC1)C2	163469	ZAWQOHUROYKVTK-UHFFFAOYSA-N	154.213	0.557	50	30	ACGC	
O=C=NC(=O)C(Cl)Cl	5178385	TVPVPCIFAVVLAU-UHFFFAOYSA-N	153.952	0.653	50	30	ACGC	
O=C1COC[C@H]1Br	38973158	JETNEFPERUVFID-GSVOUGTGSA-N	164.986	0.349	50	30	ACGC	
CN1CCC[C@@H](OC(=O)CCl)C1	8216054	GHPRRXRAHBPGIW-SSDOTTSWSA-N	191.658	0.863	50	30	ACGC	
CN1CCC[C@H]1C(=O)Cl	39055954	NJSQADKUMGVESS-YFKPBYRVSA-N	147.605	0.846	50	30	ACGC	
O[C@H](CCl)c1ncccn1	39121000	HYFHXPYDSYFBNC-RXMQYKEDSA-N	158.588	0.749	50	30	ACGC	
CS(C)=NC(=O)CCl	104732723	LUTRWBPSGVISRG-UHFFFAOYSA-N	153.634	0.813	50	30	ACGC	
CS(=O)(=O)N1CCC[C@@H](Cl)C1	71083272	NKOVXJSSXLYQAL-ZCFIWIBFSA-N	197.687	0.649	50	30	ACGC	
C[Si](C)(N=C=O)N=C=O	195764945	ICFCQEJDICSLOV-UHFFFAOYSA-N	142.190	0.360	50	30	ACGC	
O=C1OC(=O)c2c1csc2[N+](=O)[O-]	200865229	XYLLPTJEAUKCAF-UHFFFAOYSA-N	199.143	0.967	50	30	ACGC	
NC[C@@H]1C[C@@H]1Br	691972356	WAARGNVEECHAMC-IMJSIDKUSA-N	150.019	0.729	50	30	ACGC	
CNC(=O)Cc1noc(CCl)n1	74942839	VPJBFWRJDXFXTR-UHFFFAOYSA-N	189.602	0.097	50	30	ACGC	in-vitro
C=C[C@H](C)N=C=O	117227125	BOEBLZSBALIVQU-YFKPBYRVSA-N	97.117	0.897	50	30	ACGC	
O=C1NC(=O)[C@@H](CCCCl)N1	39133213	RMXJVDPOSIDEQB-SCSAIBSYSA-N	176.603	0.213	50	30	ACGC	
CC(F)(F)c1cccc(B(O)O)c1	200571919	UNBMWVIFKWQQIA-UHFFFAOYSA-N	185.966	0.478	50	30	ACGC	
C=CCOC(=O)N=C=O	219222639	GPLFLNJWFXGANM-UHFFFAOYSA-N	127.099	0.645	50	30	ACGC	in-vitro
OC[C@H](F)Cl	112964985	LRACLFFCXOEWLG-REOHCLBHSA-N	98.504	0.513	50	30	ACGC	
C=C(C#N)COC(=O)OC	238856574	WHPZIUAQADAOGN-UHFFFAOYSA-N	141.126	0.849	50	30	ACGC	in-vitro
O=C=NS(=O)(=O)c1cccs1	39321804	JBPHCEHVHVSGEP-UHFFFAOYSA-N	189.217	0.773	50	30	ACGC	in-vitro
CC(=NNC(N)=O)c1ccccn1	252448090	RUXQWZJWMCHCHH-UHFFFAOYSA-N	178.195	0.474	50	30	ACGC	
O=C(CCl)N1CCSC1	38282259	UDFTYHXUNLWFLI-UHFFFAOYSA-N	165.645	0.758	50	30	ACGC	
O=C1NC(=O)[C@H](CCCCl)N1	39133214	RMXJVDPOSIDEQB-BYPYZUCNSA-N	176.603	0.213	50	30	ACGC	
O=C(CCl)n1sccc1=O	39054935	MRNCSASBXNLRMH-UHFFFAOYSA-N	177.612	0.789	50	30	ACGC	in-vitro
NNC(=O)[C@@H]1CC=CCC1	33790327	KKSPWSLJBKFCGA-ZCFIWIBFSA-N	140.186	0.333	50	30	ACGC	
CC(=O)/C=C(\C)C=O	5132101	PFLPZDBOPDYOJU-HWKANZROSA-N	112.128	0.721	50	30	ACGC	
O=c1ccc(CBr)n[nH]1	82447386	UUQLDQHWBWAMIA-UHFFFAOYSA-N	189.012	0.665	50	30	ACGC	in-vitro
NNC(=O)OCC(F)(F)F	139664116	HLYNAMTWKPYPGI-UHFFFAOYSA-N	158.079	0.149	50	30	ACGC	
CC(C)(O)[C@@](C)(O)C#N	958719566	PXFIBOYUGRGMLL-LURJTMIESA-N	129.159	0.032	50	30	ACGC	
CCNCCSS(=O)(=O)O	31297832	ZVRYGOWMYYDRID-UHFFFAOYSA-N	185.270	0.132	50	30	ACGC	
COC(=O)[C@@](C)(N)CCl	39072839	AMNWTQJMBQCSEO-YFKPBYRVSA-N	151.593	0.116	50	30	ACGC	
CC1(C)OC[C@@H](C(=O)Cl)O1	34200137	LFLHAXOMFLJNJK-BYPYZUCNSA-N	164.588	0.903	50	30	ACGC	
C/C(CCl)=N\NC(N)=O	38796653	RJVJMYIGSGZOGT-XVNBXDOJSA-N	149.581	0.269	50	30	ACGC	
CC(=O)[C@H](Cl)C[N+](=O)[O-]	39125613	RSJQUDPJAUAVTR-SCSAIBSYSA-N	151.549	0.460	50	30	ACGC	
CC(C)(F)[C@H](O)C#N	137747586	UZZMXVFPHZAAJR-SCSAIBSYSA-N	117.123	0.619	50	30	ACGC	
CC(C)(C)C=NNC(N)=O	252464297	VZQMUDUULDRAHS-UHFFFAOYSA-N	143.190	0.687	50	30	ACGC	
O=C1CS[C@@H](C(=O)Cl)O1	39056277	ISANVCIPPUINJP-BYPYZUCNSA-N	166.585	0.368	50	30	ACGC	
NC(=O)N1CC[C@H](Cl)C1	616611052	JYUABEKHAQVFNR-BYPYZUCNSA-N	148.593	0.378	50	30	ACGC	
CN(C)[C@H]1COC[C@@H]1Br	709445152	GWIYJJBRNZEKKP-WDSKDSINSA-N	194.072	0.710	50	30	ACGC	
O[C@@H]1CC[C@@H]1Br	39059284	AOICBJMMIUUGPQ-IUYQGCFVSA-N	151.003	0.905	50	30	ACGC	
COC(=O)[C@H](Cl)[C@H]1CCOC1	50977830	DAZNCURYSGXYCT-NTSWFWBYSA-N	178.615	0.803	50	30	ACGC	in-vitro
CCN1OC[C@H](Br)C1=O	96034574	BERFWHCYVIYHFS-BYPYZUCNSA-N	194.028	0.544	50	30	ACGC	in-vitro
Cc1csc(C(=O)NN)c1N(C)C	116790	HKWJPOANWWDRPT-UHFFFAOYSA-N	199.279	0.726	50	30	ACGC	
O=C1C[C@H](CBr)CO1	237986914	CIWABXYBFHMJFP-SCSAIBSYSA-N	179.013	0.944	50	30	ACGC	
O=C=N[C@@H]1CCCCO1	2389936	VXVWIRKAABQIGS-LURJTMIESA-N	127.143	0.849	50	30	ACGC	in-vitro
CN(N)C(=O)c1ccccn1	39064749	KUKSPNGPFAUPPJ-UHFFFAOYSA-N	151.169	0.027	50	30	ACGC	
O=C=N[C@@H]1C[C@H]2CC[C@H]1O2	133360479	CLXKEBVNFGJZPH-FSDSQADBSA-N	139.154	0.642	50	30	ACGC	
COC[Si](OC)(OC)OC	195752600	IBMUMCCOQRVIMN-UHFFFAOYSA-N	166.249	0.050	50	30	ACGC	
O=C1O[C@@H](O)C(CCl)=C1Cl	5112842	WDEQLMYIIXBHTJ-SCSAIBSYSA-N	182.990	0.593	50	30	ACGC	
S=C=N[C@@H]1CCOC1	84238269	USGDSJYCXCLAFX-RXMQYKEDSA-N	129.184	0.878	50	30	ACGC	
COC(=O)/C=C(/C)C=O	39347604	MQEABLCNUISMMX-HYXAFXHYSA-N	128.127	0.305	50	30	ACGC	
N[C@@H](CCCl)C(=O)O	88189460	JIUHDQRXTPIQSV-VKHMYHEASA-N	137.566	0.027	50	30	ACGC	
CC(=O)CC(=O)Cl	100217162	AXWKFRWLYPZEFQ-UHFFFAOYSA-N	120.535	0.731	50	30	ACGC	
CONC=CC(=C(C#N)C#N)N(C)C	2265224235	KWKGFFNWBRJSDZ-UHFFFAOYSA-N	192.222	0.514	50	30	ACGC	
C[C@@H](Cl)C(=O)N1CCC(=O)CC1	39055093	LGBPSXRRLAULMX-ZCFIWIBFSA-N	189.642	0.805	50	30	ACGC	
C[C@@H](N=C=O)C(F)F	59208876	CALYRIKEOPMWSW-GSVOUGTGSA-N	121.086	0.976	50	30	ACGC	
ClCc1cnon1	82411679	ZZGBZPXRHQXBFV-UHFFFAOYSA-N	118.523	0.808	50	30	ACGC	in-vitro
CCOC(=O)[C@H]1C[C@@H]1C(=O)Cl	39056519	NTNBNHCYSBPWGE-WHFBIAKZSA-N	176.599	0.951	50	30	ACGC	
O=C(OS(=O)(=O)F)C(F)(F)F	196135847	XZXYMRNSOOBARV-UHFFFAOYSA-N	196.077	0.306	50	30	ACGC	
O=C(O)c1c[nH]c(CCl)n1	307093084	CIORMFJYHNWWNG-UHFFFAOYSA-N	160.560	0.847	50	30	ACGC	
C[C@@H](N=C=O)c1cncnc1	39052409	IUSDHOYIFJSDFX-ZCFIWIBFSA-N	149.153	0.873	50	30	ACGC	
O=C(Cl)[C@@H]1CCC[C@@H]1O	39055948	BOHZUBCQQUJBBM-UHNVWZDZSA-N	148.589	0.913	50	30	ACGC	
[C-]#[N+][C@H](C)CC(=O)OC	95698043	LYNKQPVWQDZAHG-RXMQYKEDSA-N	127.143	0.857	50	30	ACGC	
O=C1OC=C[C@H]1Br	100047849	XWCNTPJMDSTJKA-GSVOUGTGSA-N	162.970	0.820	50	30	ACGC	
O=C/C=C1\C=CN=CN1	204926737	SDMIVQGHNMXIGM-QHHAFSJGSA-N	122.127	0.214	50	30	ACGC	
CCOO[C@H](C)OO	95777336	PKLRNOIIJPCHSR-SCSAIBSYSA-N	122.120	0.790	50	30	ACGC	
C[C@H](Cl)C(=O)C(=O)N(C)C	196967505	CKOLUOHISHIMAJ-BYPYZUCNSA-N	163.604	0.271	50	30	ACGC	
O=C=NCCOCC(F)(F)F	82627886	INSLMTJKXFZZJR-UHFFFAOYSA-N	169.102	0.901	50	30	ACGC	
C[C@H](Cl)CNC(=O)CCl	238430980	OHGMOIQCKQPQNU-BYPYZUCNSA-N	170.039	0.969	50	30	ACGC	
O=C(CCl)NCc1ncc[nH]1	39133162	DJDXEISXRYTKEF-UHFFFAOYSA-N	173.603	0.265	50	30	ACGC	
CN1CC(=O)N(CCCCl)C1=O	20295904	HKRVFBSYKFASSE-UHFFFAOYSA-N	190.630	0.509	50	30	ACGC	
Cc1ccc2[nH]nc(C(=O)NN)c2c1	89195936	KCOFFKBBAQNASI-UHFFFAOYSA-N	190.206	0.475	50	30	ACGC	
C[C@@H]1C[C@@H](C(=O)Cl)OC1=O	39056219	KVZDTRRRPHIKLZ-DMTCNVIQSA-N	162.572	0.703	50	30	ACGC	
C[C@@H](Br)C=O	1603670	BJRXZMCJFCAZDL-GSVOUGTGSA-N	136.976	0.969	50	30	ACGC	in-vitro
NC1=CC=C(N)SS1	95922142	IBSLDZALVKQSFI-UHFFFAOYSA-N	146.240	0.982	50	30	ACGC	
CN(C)C(=O)OCCl	34742622	ODDBDWWPSOCNIB-UHFFFAOYSA-N	137.566	0.881	50	30	ACGC	
CC1=C(C#N)[C@H](C=NO)CC(=O)N1	382161488	UPCZDSJHTRWYEA-LURJTMIESA-N	179.179	0.380	50	30	ACGC	
O=P(O)(O)OCCCl	4886748	ANHAEBWRQNIPEV-UHFFFAOYSA-N	160.493	0.335	50	30	ACGC	
COC[C@H](Cl)C(=N)N	95932284	AITXBCFIYBHOAW-VKHMYHEASA-N	136.582	0.176	50	30	ACGC	
CCOC(=O)N[S@@](=O)Cl	100087061	NPXQGSWEEBJVRB-SECBINFHSA-N	171.605	0.550	50	30	ACGC	
O=C(CCl)[C@H]1CCOC1=O	21983298	OXSGDNOEYIMBQS-SCSAIBSYSA-N	162.572	0.357	50	30	ACGC	
C=CC(=O)N[N+](C)(C)CC	141283355	ZLCBHLIAQYJJCG-UHFFFAOYSA-O	143.210	0.300	50	30	ACGC	
NNC(=O)NCC=C(Cl)Cl	2265385624	SQSXLEOLEQKQAV-UHFFFAOYSA-N	184.026	0.478	50	30	ACGC	
O=C1NCC[C@@H]1CCCl	104625585	TXJLZLLXUCXDTB-YFKPBYRVSA-N	147.605	0.751	50	30	ACGC	in-vitro
CC(C)(O)[C@](C)(O)C#N	958719572	PXFIBOYUGRGMLL-ZCFIWIBFSA-N	129.159	0.032	50	30	ACGC	
O=[S@@]1OC[C@@H](CCl)O1	5192284	RGDJXHLNJJZNGO-NHBGOVDGSA-N	156.590	0.219	50	30	ACGC	
C=CCSc1cccc(B(O)O)c1	196236639	GBDGTVBVLHZGFE-UHFFFAOYSA-N	194.064	0.645	50	30	ACGC	
N#CC1=CCC[C@H](O)C1	201491720	PGGSOJWTUDVDGN-ZETCQYMHSA-N	123.155	0.981	50	30	ACGC	
CC(=O)[C@@H](Cl)C[N+](=O)[O-]	39125614	RSJQUDPJAUAVTR-BYPYZUCNSA-N	151.549	0.460	50	30	ACGC	
C=C(F)C(=O)F	33965977	NKEPPUAOWHKWHS-UHFFFAOYSA-N	92.044	0.966	50	30	ACGC	
CS(=O)(=O)C[C@H](Cl)C#N	60164085	VIIRIWUPKFAIDK-SCSAIBSYSA-N	167.617	0.162	50	30	ACGC	in-vitro
NC(=O)NNc1nccs1	39134658	UPGGSCOPXHLXGO-UHFFFAOYSA-N	158.186	0.138	50	30	ACGC	
CC[C@](C)(N)C(=O)CCl	38220263	CIFBWWUWOGCBDF-LURJTMIESA-N	149.621	0.922	50	30	ACGC	
CN/C(C)=C(/C#N)C(C)=O	39068901	KGIKMJBYLCEHAA-ALCCZGGFSA-N	138.170	0.592	50	30	ACGC	
ClCCc1cn[nH]n1	52226061	QQPOBJAXTSMBOJ-UHFFFAOYSA-N	131.566	0.586	50	30	ACGC	in-vitro
C[C@@H](Cl)c1nnnn1C	96034640	CWEHTQHLQKTEKX-GSVOUGTGSA-N	146.581	0.510	50	30	ACGC	in-vitro
Cn1cnnc1CCBr	199137750	AWBCFVJBJLBLDQ-UHFFFAOYSA-N	190.044	0.753	50	30	ACGC	
CC1=NC=C[C@@H]2NC(=O)C(C#N)=C[C@H]12	49942666	ZVPAFGBMXBIKHD-BDAKNGLRSA-N	187.202	0.539	50	30	ACGC	
Oc1nc(CCl)no1	82563932	VPOOTUMOXXAUAE-UHFFFAOYSA-N	134.522	0.514	50	30	ACGC	
C[C@@H](CCl)C(=O)O	6020681	AWSSTZZQBPIWKZ-VKHMYHEASA-N	122.551	0.946	50	30	ACGC	
O=C1OC(=O)[C@@H]2C[C@H](Cl)C=C[C@@H]12	140974320	PGGASBAOLMMPHM-HSUXUTPPSA-N	186.594	0.870	50	30	ACGC	
CC1=C(C#N)[C@@H](C=NO)CC(=O)N1	382161489	UPCZDSJHTRWYEA-ZCFIWIBFSA-N	179.179	0.380	50	30	ACGC	
CON1CC[C@H](Br)C1=O	34183868	ZIGBEYWHKOXLDB-BYPYZUCNSA-N	194.028	0.544	50	30	ACGC	
COC(=O)/C=C(\C)C=O	140129626	MQEABLCNUISMMX-HWKANZROSA-N	128.127	0.305	50	30	ACGC	
BrCN1CCOCC1	98210536	ZPICIKUVCJZBLN-UHFFFAOYSA-N	180.045	0.671	50	30	ACGC	
COC(=O)[C@H](C)C(=O)Cl	113366944	OWRCJIZVGNZKDU-GSVOUGTGSA-N	150.561	0.561	50	30	ACGC	
O=C[C@@H](Cl)[C@H](O)CCl	101249439	UYQSFAFDOTVORC-QWWZWVQMSA-N	156.996	0.392	50	30	ACGC	
C[C@H]1CN(C(=O)Cl)NC1=O	39056248	NVIXBILOHNADMQ-VKHMYHEASA-N	162.576	0.328	50	30	ACGC	
C[N+](C)(C#N)[C@@H](Cl)CCC(=O)O	149599312	RWFHESXUMALJEW-ZCFIWIBFSA-O	191.638	0.974	50	30	ACGC	
N#CC1=CCC[C@H]1O	35986224	XYODDUAFKAHJBC-ZCFIWIBFSA-N	109.128	0.591	50	30	ACGC	
O=C=NC[C@H]1CCCCO1	62822116	BOVNNVWMEMJNEH-SSDOTTSWSA-N	141.170	0.891	50	30	ACGC	
N[C@]1(C(=O)Cl)CCCSC1	39056497	QDEJNQRUEABUEQ-ZCFIWIBFSA-N	179.672	0.976	50	30	ACGC	
CN(C)[S@@](=O)Cl	100378384	AFVJGYRAILXFPC-ZCFIWIBFSA-N	127.596	0.366	50	30	ACGC	
CC(=O)N1CC(CBr)C1	307675617	FXRQWJMRGNKJID-UHFFFAOYSA-N	192.056	0.860	50	30	ACGC	
CC(C)=NNC(=O)c1[nH]cnc1C	39133317	BZZZJLWTGRGVCY-UHFFFAOYSA-N	180.211	0.844	50	30	ACGC	
OB(O)C1CCC(F)CC1	225193828	DQVIJWLJUSXJJS-UHFFFAOYSA-N	145.970	0.742	50	30	ACGC	
N[C@@H](CCCCl)C(=O)O	104712651	GVDZCTQNNXIPAQ-BYPYZUCNSA-N	151.593	0.417	50	30	ACGC	
N#C[C@@H]1CSCN1C(=O)CCl	95760942	WPMZIZVPJORINX-RXMQYKEDSA-N	190.655	0.650	50	30	ACGC	
C[C@H](N)CCCl	44410569	GCAMQFBODZNEGE-BYPYZUCNSA-N	107.584	0.963	50	30	ACGC	
C[C@H](O)C(=O)OCCCl	104732385	CGVGSQNGXZPVQF-BYPYZUCNSA-N	152.577	0.149	50	30	ACGC	in-vitro
N#CC1=CC=C[C@@H]2O[C@H]12	39132292	GNFQBKOLHDJZIP-NKWVEPMBSA-N	119.123	0.774	50	30	ACGC	
COC(=O)[C@H](O)CCCCl	104725160	QWPUPPAXYDZQOR-RXMQYKEDSA-N	166.604	0.539	50	30	ACGC	
CO[C@@H](O)CCl	33605317	WDKOEMMQZYRXJH-GSVOUGTGSA-N	110.540	0.190	50	30	ACGC	
C=CCCN=C=O	38292283	VNKGGLJCICOLTE-UHFFFAOYSA-N	97.117	0.898	50	30	ACGC	
CC1=C2C(C=O)=CN=C2NCC1	35569591	RLGPPQULNZBUAF-UHFFFAOYSA-N	162.192	0.791	50	30	ACGC	
Cn1ccc(NC=C(C#N)C#N)n1	80489	XSDGTIZUSTYSLO-UHFFFAOYSA-N	173.179	0.763	50	30	ACGC	
Cn1ccn2c(CCl)nnc2c1=O	616583090	VZKJQCSRQFRGOH-UHFFFAOYSA-N	198.613	0.167	50	30	ACGC	
CC(=O)OC1(C(=O)Cl)CC1	34273186	VHLBPPIUDAUUFY-UHFFFAOYSA-N	162.572	0.848	50	30	ACGC	
C=CCNC(=O)NNC(=O)CCC	39125831	DRPWFDCLNKXUTE-UHFFFAOYSA-N	185.227	0.303	50	30	ACGC	
CC(C)C(=O)N=C=O	39278498	NUJABUJBVBBCTR-UHFFFAOYSA-N	113.116	0.505	50	30	ACGC	
C[S@](=O)CCCl	16891608	LNSWATAJDLOYBE-ZCFIWIBFSA-N	126.608	0.604	50	30	ACGC	
CC(C)NC(N)=C(C#N)C#N	96347800	WPWJOARZTNKGHP-UHFFFAOYSA-N	150.185	0.202	50	30	ACGC	
NNC(=O)c1nccc2ccccc12	39119569	VRKGMQCMMGPVLZ-UHFFFAOYSA-N	187.202	0.838	50	30	ACGC	
COc1nc(N)ncc1C(=O)Cl	39056736	XJZGAWUKXHAQNI-UHFFFAOYSA-N	187.586	0.446	50	30	ACGC	
CC[C@@H](COC)N=C=O	70621282	AVJUKCDKRZHZDU-LURJTMIESA-N	129.159	0.747	50	30	ACGC	
CN1CCN(C(=O)Cl)C1=O	39056240	OIOGFDPKEOSFCZ-UHFFFAOYSA-N	162.576	0.713	50	30	ACGC	
O=S(=O)(CCl)N1CCCC1	42383857	WNUGGCKSNKHGNV-UHFFFAOYSA-N	183.660	0.608	50	30	ACGC	
CCOC(=O)C1(C(=O)Cl)N=N1	219484666	SXBUBMABYWMEQA-UHFFFAOYSA-N	176.559	0.477	50	30	ACGC	
COC(=O)[C@@H]1CCC/C1=N\NC(C)=O	100234981	OEWTXKRLLPXOJT-UEDIXRFOSA-N	198.222	0.452	50	30	ACGC	
CN(C(=O)CCl)C(C)(C)C(=O)O	39135775	LJIILLPMVHNTNO-UHFFFAOYSA-N	193.630	0.547	50	30	ACGC	
O=C=NCCOCC(F)F	232334065	AXWOOANDSZKCFD-UHFFFAOYSA-N	151.112	0.604	50	30	ACGC	
O=C1Cc2cccc(O)c2C(=O)O1	196653958	OPDWXUDMXCJAMI-UHFFFAOYSA-N	178.143	0.632	50	30	ACGC	
COC(=O)[C@H]1CCC/C1=N\NC(C)=O	100234978	OEWTXKRLLPXOJT-AHHRJZGPSA-N	198.222	0.452	50	30	ACGC	
Cl[C@@H]1C=CCNC1	584883967	WPCGQICIOBGGSW-RXMQYKEDSA-N	117.579	0.753	50	30	ACGC	
O=C(O)/C=N/NC(=O)c1ccccc1	87566	HWODSTRCALRJQF-UXBLZVDNSA-N	192.174	0.487	50	30	ACGC	
COC(=O)OCC(=O)Cl	22002285	PYUOGQPENYTNSY-UHFFFAOYSA-N	152.533	0.535	50	30	ACGC	
COCCOC(=O)OCCl	59703104	XIQFQYLHQIVRSP-UHFFFAOYSA-N	168.576	0.982	50	30	ACGC	
N#CSC#N	103846630	RFMQOHXWHFHOJF-UHFFFAOYSA-N	84.103	0.682	50	30	ACGC	
O=C(O)CCCNC(=O)CCl	40802949	KSXCQPBPLQHGJF-UHFFFAOYSA-N	179.603	0.206	50	30	ACGC	in-vitro
CC1(C)OC[C@@H](C(=O)CCl)O1	39054916	HONHOFHLFOJBNZ-LURJTMIESA-N	178.615	0.946	50	30	ACGC	
OB(O)c1ccc(-c2ncco2)cc1	197008145	PUJLCEFUDPJLTK-UHFFFAOYSA-N	188.979	0.021	50	30	ACGC	
O=C1C[C@@H](Br)N1	39088391	VLLMCMUMDBZAJA-REOHCLBHSA-N	149.975	0.227	50	30	ACGC	
CCn1nnc(CCl)n1	104712353	XXXMQHQWXNRUMC-UHFFFAOYSA-N	146.581	0.432	50	30	ACGC	
O=C(CCl)C12CCN(CC1)C2	39054835	VQZLJIDGKWHAKX-UHFFFAOYSA-N	173.643	0.890	50	30	ACGC	
CCOC(=O)N(CCO)N=O	5650588	ZYRBKRUFYCEVTO-UHFFFAOYSA-N	162.145	0.119	50	30	ACGC	
C=C[C@H](Cl)CO	1854463	FNBIWDGYHRVZFA-BYPYZUCNSA-N	106.552	0.772	50	30	ACGC	
C[C@@H](Cl)CCO	39340136	UTBUFLARLRSVFF-SCSAIBSYSA-N	108.568	0.996	50	30	ACGC	
CCOC(=O)C1(N=C=O)CC1	88613633	HGKJXRXWSXDXEG-UHFFFAOYSA-N	155.153	0.418	50	30	ACGC	
COC(=O)[C@H](Cl)CC#N	39119500	IYNCGUHFTXEIKK-SCSAIBSYSA-N	147.561	0.680	50	30	ACGC	
CCOCC(=O)OC(=O)COCC	85733874	FCOGYPACUCYJOO-UHFFFAOYSA-N	190.195	0.129	50	30	ACGC	
N[C@@H](CCl)Cc1c[nH]cn1	39132624	MPEOXRFPLFJWSZ-RXMQYKEDSA-N	159.620	0.518	50	30	ACGC	
Cc1nc(CCl)nn1C	143067760	GZLGNMIQDXMTOW-UHFFFAOYSA-N	145.593	0.862	50	30	ACGC	
O=C1OC(=O)[C@@H]2C[C@@H](Cl)C=C[C@H]12	199437083	PGGASBAOLMMPHM-HCWXCVPCSA-N	186.594	0.870	50	30	ACGC	
CCn1cc(N=C=O)cn1	62822040	ZFKMDUZXWCUMSP-UHFFFAOYSA-N	137.142	0.870	50	30	ACGC	
NNC(=O)Nc1ccc(CCO)cc1	40739338	MGDVZFSYMNUEPD-UHFFFAOYSA-N	195.222	0.217	50	30	ACGC	in-vitro
CS(=O)(=O)OC[C@@H](F)Cl	2265384921	HLHAXYFPWXQRAB-GSVOUGTGSA-N	176.596	0.497	50	30	ACGC	
CCOC(=O)/C(C#N)=C(\C)OC	75557425	NWOLVKWTKMCRSF-VOTSOKGWSA-N	169.180	0.993	50	30	ACGC	
C/C=C(\C=O)COC(C)=O	5132624	SPMALVQSPLOCPK-XVNBXDOJSA-N	142.154	0.695	50	30	ACGC	
NC[C@H]1C[C@H]1Cl	694395794	FSYCLLVNDVLXPJ-QWWZWVQMSA-N	105.568	0.572	50	30	ACGC	
C[Si]1(C)OCCOCCO1	195765518	WNTQZCOSFQWNDG-UHFFFAOYSA-N	162.261	0.752	50	30	ACGC	
O=CN1CCC(C(=O)Cl)CC1	22006532	XGFKZJZVLQPJKL-UHFFFAOYSA-N	175.615	0.620	50	30	ACGC	
O=C(CN=C=S)NC1CC1	36782542	JNNSJVHXSSGKAO-UHFFFAOYSA-N	156.210	0.368	50	30	ACGC	in-vitro
O=C(O)c1cccc(OO)c1C(=O)O	100086873	RSSCHXIENGJMRJ-UHFFFAOYSA-N	198.130	0.935	50	30	ACGC	
N#C/C(C(N)=O)=C1/CCCO1	75539387	ILHOBALEQZYISD-AATRIKPKSA-N	152.153	0.060	50	30	ACGC	
[C-]#[N+][C@H](CCCC(=O)OC)C(=O)OC	95698057	QVCXUPFOTQKMFV-SSDOTTSWSA-N	199.206	0.791	50	30	ACGC	
CC[C@@](C)(N)C(=O)CCl	38220264	CIFBWWUWOGCBDF-ZCFIWIBFSA-N	149.621	0.922	50	30	ACGC	
N#C/C=C1\NC(N)=CS1	39134711	AURHRRSGPPCHBJ-ORCRQEGFSA-N	139.183	0.445	50	30	ACGC	
CNCCOCCCl	83195915	WVUFNUKAPAOJJE-UHFFFAOYSA-N	137.610	0.461	50	30	ACGC	in-vitro
COC(=O)CSSCCO	145423635	SHTCPUXJYSOEQT-UHFFFAOYSA-N	182.266	0.533	50	30	ACGC	
CON=CC(C#N)=CN(C)C	2265224238	RLFUFOXUPLHIPU-UHFFFAOYSA-N	153.185	0.588	50	30	ACGC	
O=C=NCCCF	2040635	QNUBQVQVKVHSFL-UHFFFAOYSA-N	103.096	0.682	50	30	ACGC	
COC(=O)[C@H]1C[C@@H]1Br	142007929	HSVUTKNZCLEVQM-IMJSIDKUSA-N	179.013	0.943	50	30	ACGC	
Cc1cc(B(O)O)cc(F)c1C	196236590	FLXJTRXIQNTPMG-UHFFFAOYSA-N	167.976	0.122	50	30	ACGC	
O=S(=O)(CCl)OCCCl	1571635	BYEULZSQJFKHIP-UHFFFAOYSA-N	193.051	0.768	50	30	ACGC	
Cc1cc(CN=C=O)on1	62822170	IDCDKJBEUIEYQT-UHFFFAOYSA-N	138.126	0.819	50	30	ACGC	in-vitro
O=C(CCl)C[C@H]1COC(=O)C1	223723168	RRZLCTHDTMNCEY-RXMQYKEDSA-N	176.599	0.748	50	30	ACGC	
N[C@@]1(C(=O)Cl)CCCSC1	39056498	QDEJNQRUEABUEQ-LURJTMIESA-N	179.672	0.976	50	30	ACGC	
Cl[C@@H]1NC=Nc2nc[nH]c21	45820753	ISYIJGDQPIOZHG-SCSAIBSYSA-N	156.576	0.910	50	30	ACGC	
COCC[S@](=O)Cl	306638179	CCJQEPBIDOAYEJ-ZETCQYMHSA-N	142.607	0.535	50	30	ACGC	
O=C[C@H](Cl)[C@H](O)CCl	101249442	UYQSFAFDOTVORC-IUYQGCFVSA-N	156.996	0.392	50	30	ACGC	
CCOC(=O)C(CCl)=NO	383570492	CERHYVIYHGEZKF-UHFFFAOYSA-N	165.576	0.619	50	30	ACGC	
O=C=NCCF	2040417	JNAJXLFIFYAWRN-UHFFFAOYSA-N	89.069	0.292	50	30	ACGC	
O=C1C=C(CCl)[C@@H](O)O1	5133063	CGGKPVLGRJYRIP-YFKPBYRVSA-N	148.545	0.027	50	30	ACGC	
C/C(C=O)=C/C(=O)O	118435097	VXAWORVMCLXEKH-RQOWECAXSA-N	114.100	0.216	50	30	ACGC	
C=C(C=O)CCC1OCCO1	21990738	AFSWDXMCXDSXBJ-UHFFFAOYSA-N	156.181	0.895	50	30	ACGC	
C[C@@H](Br)[C@H](N)C(=O)O	34194959	WRQWJZDYAAWXMG-GBXIJSLDSA-N	182.017	0.182	50	30	ACGC	
CO[C@H](Br)C(C)=O	39254914	IWHDYUZUBHRPFK-BYPYZUCNSA-N	167.002	0.943	50	30	ACGC	
O=C(CCl)OCCl	104721747	RGXOOYDUNWUMTN-UHFFFAOYSA-N	142.969	0.965	50	30	ACGC	
C[C@@H](CCl)CS(C)(=O)=O	70067541	ZCCSBEINTQALFZ-YFKPBYRVSA-N	170.661	0.906	50	30	ACGC	
CO[Si](C)(C)CCCNCCN	195764288	GDYNEEHLNBYCLY-UHFFFAOYSA-N	190.363	0.776	50	30	ACGC	
N#CC/C=C/[Si](O)(O)/C=C/CC#N	198023271	NWBDTFZXRXRGIT-FCXRPNKRSA-N	194.266	0.431	50	30	ACGC	
CNC(=O)NNC(=O)c1ccccc1	164632	UTYJKGRLETYZPF-UHFFFAOYSA-N	193.206	0.260	50	30	ACGC	
C[C@H](Br)C=O	6436993	BJRXZMCJFCAZDL-VKHMYHEASA-N	136.976	0.969	50	30	ACGC	in-vitro
CO[C@H]1CC/C(=C\C#N)[C@H](O)[C@H]1OC	255996545	QFQZXWVBXNSSJP-IVMLVQDOSA-N	197.234	0.621	50	30	ACGC	
CO[C@@H]1OC[C@@H](CCl)O1	196787292	RURIZOFQIQCPBN-RFZPGFLSSA-N	152.577	0.571	50	30	ACGC	
CNC(=O)CCN=C=S	44995110	NRIYQKLSBVXOSA-UHFFFAOYSA-N	144.199	0.225	50	30	ACGC	
C[C@H](N=C=O)c1cncnc1	39052407	IUSDHOYIFJSDFX-LURJTMIESA-N	149.153	0.873	50	30	ACGC	
COC(=O)c1ccc(C(=O)NN)cc1	133122	HGVBEQHEDXPHBI-UHFFFAOYSA-N	194.190	0.077	50	30	ACGC	
COC(=O)CC(C)(C)N=C=O	34440840	GFQSSGHLDKMZOK-UHFFFAOYSA-N	157.169	0.664	50	30	ACGC	
COC(=O)NC[C@](C)(O)CCl	39126408	LHVOLRXWLGPXLX-ZCFIWIBFSA-N	181.619	0.332	50	30	ACGC	
N#CC(=O)N/N=C/c1cccs1	211665375	LAPZKFYEIDXOMN-WEVVVXLNSA-N	179.204	0.722	50	30	ACGC	
Cl[C@H]1NC=Nc2nc[nH]c21	45820756	ISYIJGDQPIOZHG-BYPYZUCNSA-N	156.576	0.910	50	30	ACGC	
Cn1cc(CN=C=O)cn1	62822191	MEVYTZFATAMHAF-UHFFFAOYSA-N	137.142	0.256	50	30	ACGC	
COC(=O)NNC(=N)[C@H](C)Cl	96327071	QTJOSYFVNQMWAV-VKHMYHEASA-N	179.607	0.452	50	30	ACGC	
CCCc1cc(C(=O)NN)no1	39113370	ZJBDPWJPGQIYGU-UHFFFAOYSA-N	169.184	0.231	50	30	ACGC	
O=C(OCCCl)[C@@H](O)CCF	2000296	PYNDSUPYXXIHRB-YFKPBYRVSA-N	184.594	0.489	50	30	ACGC	
CC1=C(C=O)C(=O)OC1(C)C	39062621	BLWJNDXIZJGKJB-UHFFFAOYSA-N	154.165	0.837	50	30	ACGC	
NC[C@H]1C[C@@H]1Cl	694395788	FSYCLLVNDVLXPJ-DMTCNVIQSA-N	105.568	0.572	50	30	ACGC	
CN1CCN(C)C1=CC#N	38856432	CYTNRGDYTSEJQV-UHFFFAOYSA-N	137.186	0.229	50	30	ACGC	
O=C(CCl)COC1CC1	717652882	DBGLGXWQFFNYMJ-UHFFFAOYSA-N	148.589	0.973	50	30	ACGC	
Cn1cc(C(=O)Cl)oc1=O	39056234	FUULJFLEXKRSLJ-UHFFFAOYSA-N	161.544	0.357	50	30	ACGC	
CN1CCC[C@@H]1C(=O)Cl	39055953	NJSQADKUMGVESS-RXMQYKEDSA-N	147.605	0.846	50	30	ACGC	
C[C@@H]1CN(C(=O)Cl)NC1=O	39056247	NVIXBILOHNADMQ-GSVOUGTGSA-N	162.576	0.328	50	30	ACGC	
N#C/C=C/O	101781131	VLQQXSKNYWXJKT-HNQUOIGGSA-N	69.063	0.582	50	30	ACGC	
[C-]#[N+]CCC(=O)OC	95713370	AOLFHMGVBOXEQJ-UHFFFAOYSA-N	113.116	0.469	50	30	ACGC	
O=C1OC=C[C@@H]1Br	100047851	XWCNTPJMDSTJKA-VKHMYHEASA-N	162.970	0.820	50	30	ACGC	
O=CC(I)C=O	138845395	CTDBHYCWOSCODO-UHFFFAOYSA-N	197.959	0.188	50	30	ACGC	
O=C1CC(F)(F)CC(=O)O1	217693108	LNLDXLRVPQIPFD-UHFFFAOYSA-N	150.080	0.485	50	30	ACGC	
O=C(Cl)N1C(=O)CCC1=O	39056192	LHBRJNYLLZOROE-UHFFFAOYSA-N	161.544	0.494	50	30	ACGC	
BrCCCc1nnn[nH]1	47292149	VJPVRXXOYPODNM-UHFFFAOYSA-N	191.032	0.527	50	30	ACGC	in-vitro
O=C(N=C=S)[C@H]1CCOC1	48628424	BNETZWZAQSQBPG-YFKPBYRVSA-N	157.194	0.652	50	30	ACGC	
CN(C)[S@@](C)(=O)=NC(=O)CCl	407986104	AGVHWEUPCMYLNY-NSHDSACASA-N	198.675	0.326	50	30	ACGC	
O=P(O)(O)CCOCCCl	39234348	CYHFEXYPIFCIFR-UHFFFAOYSA-N	188.547	0.420	50	30	ACGC	in-vitro
N#CC1(O)C[C@@H]2CC[C@H](C1)N2	100206524	BRADWLAOSWTRKJ-DHBOJHSNSA-N	152.197	0.155	50	30	ACGC	
CN(C)[C@H]1COC[C@H]1Br	709445151	GWIYJJBRNZEKKP-RITPCOANSA-N	194.072	0.710	50	30	ACGC	
COCC[S@@](=O)Cl	306638175	CCJQEPBIDOAYEJ-SSDOTTSWSA-N	142.607	0.535	50	30	ACGC	
C=CCOCc1cccc(B(O)O)c1	203601432	AURXILXTQYNTJO-UHFFFAOYSA-N	192.023	0.069	50	30	ACGC	
[C-]#[N+]C(C)(C)C(=O)OC	67810706	SFJWZPGYDWHHIZ-UHFFFAOYSA-N	127.143	0.857	50	30	ACGC	investigational
N[C@H]1C[C@H](CCl)C1	669379446	BUWDHVVXLUJYHE-URHBZAFASA-N	119.595	0.963	50	30	ACGC	
COC(=O)[C@@H](Cl)[C@H](C)O	32134402	ZDCDXBCIJDUWEO-IMJSIDKUSA-N	152.577	0.148	50	30	ACGC	
CN(C)CC(Cl)CN(C)C	33506554	SCMRSXYMRBPCRB-UHFFFAOYSA-N	164.680	0.717	50	30	ACGC	
CC1(C)Cc2ccc(B(O)O)cc2O1	196856624	DDHYGHDRSUSCQH-UHFFFAOYSA-N	192.023	0.080	50	30	ACGC	
Cn1cccc1N=C=O	39073558	FIDIAKVZMWCGON-UHFFFAOYSA-N	122.127	0.992	50	30	ACGC	
CCOC(OCC)[C@H](O)CCl	21990724	NMEDRIAZFORLQA-ZCFIWIBFSA-N	182.647	0.985	50	30	ACGC	
C[C@]12CC[C@@]1(C)C(=O)OC2=O	143411032	YQRNFUCDZYTUHU-OCAPTIKFSA-N	154.165	0.876	50	30	ACGC	
O=P(O)(O)CCCCl	96395088	SUAATVSKKHVVJP-UHFFFAOYSA-N	158.521	0.793	50	30	ACGC	
CN(C)C(=O)N(C)N=O	31623092	LOEHVDVYTQIWEV-UHFFFAOYSA-N	131.135	0.281	50	30	ACGC	
O=C1NCC[C@H]1CCCl	104625580	TXJLZLLXUCXDTB-RXMQYKEDSA-N	147.605	0.751	50	30	ACGC	in-vitro
Cc1cnc(C(=O)NN)s1	39136575	YFWTZUVXTJCFKL-UHFFFAOYSA-N	157.198	0.055	50	30	ACGC	in-vitro
CC(C)(C)CN/C(C#N)=C(\N)C#N	3120532	LTACKMSMGYVSSR-FPLPWBNLSA-N	178.239	0.840	50	30	ACGC	
OC[C@@H]1C[C@H]1Cl	90225661	FXUQPSPDDULYHZ-IUYQGCFVSA-N	106.552	0.606	50	30	ACGC	in-vitro
O=[N+]([O-])CCBr	39375270	GXRJYFQJICTJLH-UHFFFAOYSA-N	153.963	0.658	50	30	ACGC	in-vitro
CC(=O)[C@@H](Cl)C=NO	606521422	AUMZWGMNQXJJAX-BYPYZUCNSA-N	135.550	0.643	50	30	ACGC	
O=C=NC[C@@H]1CCOC1	62822094	RGWWNWXLGWYJLV-LURJTMIESA-N	127.143	0.359	50	30	ACGC	in-vitro
O[C@@H](CCl)c1ncccn1	39121002	HYFHXPYDSYFBNC-YFKPBYRVSA-N	158.588	0.749	50	30	ACGC	
O=C=N[C@@H]1CCSC1=O	217932714	RCEVODSWDXXEEP-SCSAIBSYSA-N	143.167	0.354	50	30	ACGC	
N#CCC[C@@H](O)C#N	100139274	DDCDTWPTVDVDDU-RXMQYKEDSA-N	110.116	0.175	50	30	ACGC	
NC(=O)N(CCCl)CCCl	116056596	HCDFDZAFAJYERI-UHFFFAOYSA-N	185.054	0.845	50	30	ACGC	
CC(C)(C)OC(=O)NN=C1COC1	306988734	GXMBAHVKQWUATH-UHFFFAOYSA-N	186.211	0.897	50	30	ACGC	
NCC1(CBr)OCCO1	216407089	YCFVEBNLLVOHPO-UHFFFAOYSA-N	196.044	0.083	50	30	ACGC	
NC(=O)NN=Cc1ccccc1O	254405662	IZXDQSKCOWSUOG-UHFFFAOYSA-N	179.179	0.394	50	30	ACGC	
O=C(Cl)[C@H]1CCS(=O)(=O)C1	39056609	FXGMEXPHHNLIII-BYPYZUCNSA-N	182.628	0.187	50	30	ACGC	
CC(C)[C@@H]1C(N)=C(C#N)CN1C	5284967	NIFYJZXRTQCRRP-SECBINFHSA-N	165.240	0.693	50	30	ACGC	
NNC(=O)NC1C=CCC=C1	45823817	ZFUFSUWNLGPBAD-UHFFFAOYSA-N	153.185	0.044	50	30	ACGC	
C/C=C/S(=O)(=O)N=C=O	5132889	DAONPBQTUWQEQJ-NSCUHMNNSA-N	147.155	0.186	50	30	ACGC	
CC1(C)C[C@H]1B(O)O	200987479	JKKPTKXTGDWIQJ-SCSAIBSYSA-N	113.953	0.259	50	30	ACGC	
N#CCC(=O)NN=Cc1ccc[nH]1	254515067	XQNICZRQGFYMMJ-UHFFFAOYSA-N	176.179	0.378	50	30	ACGC	
C=CCOC[C@@H](Br)CO	33605192	LOESVTJXRAAZKI-LURJTMIESA-N	195.056	0.945	50	30	ACGC	
O=C1OC(=O)N2CCC[C@H]12	100494476	JNWNBXNPBSVNMU-SCSAIBSYSA-N	141.126	0.128	50	30	ACGC	
O=C(Cl)c1ccc(=O)[nH]c1	89228928	ZTUJAURKGQRLFU-UHFFFAOYSA-N	157.556	0.754	50	30	ACGC	
C/N=C1\CCCN1C(=O)CCl	100092484	JRJWERGLGBMGLN-RMKNXTFCSA-N	174.631	0.876	50	30	ACGC	
COC(=O)C(=O)C(Cl)Cl	223289162	UKGAJIPDOCPNDX-UHFFFAOYSA-N	170.979	0.532	50	30	ACGC	
O=C=NCCCN1CCCC1	39080568	JSDKEZXHRJXKSY-UHFFFAOYSA-N	154.213	0.808	50	30	ACGC	
NNC(=O)CCOCc1ccccc1	70152972	QQMKUVODFFHQTG-UHFFFAOYSA-N	194.234	0.583	50	30	ACGC	
C=C(CO)CBr	95883719	ZGBZQPLMILYHFP-UHFFFAOYSA-N	151.003	0.930	50	30	ACGC	
CS(=O)(=O)N1CCC[C@H](Cl)C1	71083271	NKOVXJSSXLYQAL-LURJTMIESA-N	197.687	0.649	50	30	ACGC	
CC(=O)[C@H](Cl)C=NO	606521423	AUMZWGMNQXJJAX-SCSAIBSYSA-N	135.550	0.643	50	30	ACGC	
CCO[C@H](O)CC(=O)CCl	39125735	BHUGTSWSJBTNKT-LURJTMIESA-N	166.604	0.539	50	30	ACGC	
C=CCSSC[C@H](N)C(=O)O	13311503	WYQZZUUUOXNSCS-YFKPBYRVSA-N	193.293	0.966	50	30	ACGC	endogenous,in-man
O=C1OC(=O)[C@@H]2C[C@@H](Cl)C=C[C@@H]12	140974154	PGGASBAOLMMPHM-KVQBGUIXSA-N	186.594	0.870	50	30	ACGC	
COC(OC)[C@H](C)N=C=O	215459662	XSKPXLHSPIQLLU-YFKPBYRVSA-N	145.158	0.330	50	30	ACGC	
N#C[C@H](O)C1CCC2(CC1)OCCO2	100546198	BTYPCXGSSQRXME-VIFPVBQESA-N	197.234	0.804	50	30	ACGC	in-vitro
OC[C@@H]1CO[C@H](CBr)O1	5157241	ZSLVLMWYSIERCN-UHNVWZDZSA-N	197.028	0.115	50	30	ACGC	
NNC(=O)Nc1nccs1	39136560	VFJAIBUEXZUFGD-UHFFFAOYSA-N	158.186	0.138	50	30	ACGC	
Cn1cc(CBr)nn1	52227192	SZJLYVIGOLRODJ-UHFFFAOYSA-N	176.017	0.710	50	30	ACGC	
CCC(=O)[C@H](Cl)CCO	39125722	ZFUVOVCVJIAPGR-RXMQYKEDSA-N	150.605	0.955	50	30	ACGC	
O[C@@H]1C[C@H]1Cl	39616854	FPRZZQZXVVNHMP-PWNYCUMCSA-N	92.525	0.358	50	30	ACGC	
C=C(F)C=O	5157350	MQBNWHZGDKLEHL-UHFFFAOYSA-N	74.054	0.669	50	30	ACGC	
OB(O)c1cccc([C@@H]2CC2(F)F)c1	238649937	VULAQLXLRKLYLZ-QMMMGPOBSA-N	197.977	0.489	50	30	ACGC	
C[C@]1(CBr)CNC(=O)C1	536948495	PXKGKCCCSNKGDP-LURJTMIESA-N	192.056	0.908	50	30	ACGC	
CC(=NO)C(CCl)=NO	352000897	ZBMQRQACJNHGNB-UHFFFAOYSA-N	150.565	0.906	50	30	ACGC	
CCOC(=O)NN[C@@](C)(C#N)CC	45820485	GVRDTFYONOGCQF-MRVPVSSYSA-N	185.227	0.929	50	30	ACGC	
O=C(CCl)C1C(=O)CCCC1=O	100098743	WOUFYJJPDXUZFG-UHFFFAOYSA-N	188.610	0.733	50	30	ACGC	
CCOC(=O)[C@H]1C[C@H]1C(=O)Cl	39056521	NTNBNHCYSBPWGE-UHNVWZDZSA-N	176.599	0.951	50	30	ACGC	
C=CCOC[C@H](Br)CO	33605191	LOESVTJXRAAZKI-ZCFIWIBFSA-N	195.056	0.945	50	30	ACGC	
C=C(CCC)B(O)O	238222909	ZQUCDTTXFIGSRS-UHFFFAOYSA-N	113.953	0.355	50	30	ACGC	
N#C[C@H]1OCC[C@H]1Cl	32162211	YTJXXPVBNLXGPI-RFZPGFLSSA-N	131.562	0.906	50	30	ACGC	
C/C=C(\C#N)OC(C)=O	31331826	KDWLJRLMMTVSSP-ZZXKWVIFSA-N	125.127	0.977	50	30	ACGC	
O=C1O[C@H](O)C(CCl)=C1Cl	5112840	WDEQLMYIIXBHTJ-BYPYZUCNSA-N	182.990	0.593	50	30	ACGC	
C#CCN(C)C(=O)Cl	196348985	JXQQFKXKZPUAAO-UHFFFAOYSA-N	131.562	0.910	50	30	ACGC	
ClCc1nnc2n1CCOC2	216656857	ZJOIAHSOASTTIA-UHFFFAOYSA-N	173.603	0.547	50	30	ACGC	in-vitro
CC(C)OC(=O)N=C=O	143758695	PCWJSLJQMQRBKB-UHFFFAOYSA-N	129.115	0.867	50	30	ACGC	
O=C1OC(=O)N2CCC[C@@H]12	100494478	JNWNBXNPBSVNMU-BYPYZUCNSA-N	141.126	0.128	50	30	ACGC	
CCOC(=O)[C@@H]1C[C@@H]1C(=O)Cl	39056518	NTNBNHCYSBPWGE-CRCLSJGQSA-N	176.599	0.951	50	30	ACGC	
N#C/C=C/c1c[nH]cn1	140748600	XJNHHKFRMKFHPO-OWOJBTEDSA-N	119.127	0.946	50	30	ACGC	
CC(C)[C@@H]1N/C(=C\C=O)OC1=O	39104370	OCWUJSBIGSLEIV-ZAXDUSRUSA-N	169.180	0.198	50	30	ACGC	
CC(=O)N(C)CCCl	71078543	GSDHXIYEJRUVTM-UHFFFAOYSA-N	135.594	0.704	50	30	ACGC	
CC1(c2ccc(B(O)O)cc2)CCC1	2265385577	NEIQEXHUVGUASI-UHFFFAOYSA-N	190.051	0.808	50	30	ACGC	
O=C(Cl)N1CCC[C@@H](O)C1	39056226	HOPJDMUQXMCFGQ-RXMQYKEDSA-N	163.604	0.802	50	30	ACGC	
C=COC(=O)C[C@H](C)NNC(C)=O	39126148	FKVLSURMDAWZMA-LURJTMIESA-N	186.211	0.092	50	30	ACGC	
NC(=O)N1CC[C@@H](Cl)C1	616611989	JYUABEKHAQVFNR-SCSAIBSYSA-N	148.593	0.378	50	30	ACGC	
CS(=O)(=O)CCN=C=S	37750701	PXVHQFMYBFOZMY-UHFFFAOYSA-N	165.239	0.134	50	30	ACGC	
N=C(N)N[C@@H]1OC(CCl)=CS1	66338783	DVCZSAJCOLOQGB-RXMQYKEDSA-N	193.659	0.597	50	30	ACGC	
ClCCCCc1nnn[nH]1	2546990	AYCYAIFEVQSAON-UHFFFAOYSA-N	160.608	0.761	50	30	ACGC	
O=C[C@H](Cl)[C@@H](O)CCl	101249440	UYQSFAFDOTVORC-IMJSIDKUSA-N	156.996	0.392	50	30	ACGC	
O=C(Cl)ON1C(=O)CCC1=O	2547855	NVKZKCWZPSNZFD-UHFFFAOYSA-N	177.543	0.426	50	30	ACGC	
CC1(N=C=O)CCOCC1	95763592	KBQANCJFIWTXKP-UHFFFAOYSA-N	141.170	0.891	50	30	ACGC	
COC(=O)[C@H](Cl)CSC(=N)N	6482344	NQDLECWPTPMLDZ-GSVOUGTGSA-N	196.659	0.393	50	30	ACGC	
OC[C@H](F)CBr	34283257	HJPIXHRDTUXVJH-GSVOUGTGSA-N	156.982	0.712	50	30	ACGC	
CSSCCN	104636359	LCVDHXURABCEDA-UHFFFAOYSA-N	123.246	0.956	50	30	ACGC	in-vitro
CCCOC(N)=C(C#N)C#N	148904714	CGFDOLJLMSOSRK-UHFFFAOYSA-N	151.169	0.630	50	30	ACGC	
OB(O)c1ccc([C@H]2CC2(F)F)cc1	238645552	SNXLZBXXKBBAHH-MRVPVSSYSA-N	197.977	0.489	50	30	ACGC	
Cl[C@H]1C=CCNC1	584883968	WPCGQICIOBGGSW-YFKPBYRVSA-N	117.579	0.753	50	30	ACGC	
COC(=O)C1CN(C(=O)Cl)C1	958678866	MBCMSTBLCADOAA-UHFFFAOYSA-N	177.587	0.450	50	30	ACGC	
COC(=O)C(C#N)=C1CCOCC1	34618455	WTJOZBNYFZXKJX-UHFFFAOYSA-N	181.191	0.790	50	30	ACGC	
CC(=O)[C@@H](Br)CO	39127880	WJLOUABTPZWRQM-BYPYZUCNSA-N	167.002	0.331	50	30	ACGC	
C[C@@]12C=C[C@@H](C1)[C@@H]1C(=O)OC(=O)[C@@H]12	100446322	KNRCVAANTQNTPT-CLIVKXMMSA-N	178.187	0.898	50	30	ACGC	
COCCC(=O)CBr	39291725	HGICCAVOSWSQTO-UHFFFAOYSA-N	181.029	0.987	50	30	ACGC	
C[C@@]1(CCl)OC[C@H](CO)O1	1998916	LOMFXRJCLQQSJH-NTSWFWBYSA-N	166.604	0.349	50	30	ACGC	
COC(=O)C[S@](=O)CCCl	59142683	QCASOZFALSMYCA-JTQLQIEISA-N	184.644	0.147	50	30	ACGC	
NNC(=O)c1n[nH]c2ccc(F)cc12	89195934	XWRJWHUJTCYRJO-UHFFFAOYSA-N	194.169	0.306	50	30	ACGC	
CS[S@](C)=O	4429713	RRGUMJYEQDVBFP-YFKPBYRVSA-N	110.203	0.643	50	30	ACGC	endogenous,in-man
CC[C@@H]1CC[C@H]2C(=O)OC(=O)N21	100285081	CERYIXIPCOZUPI-RITPCOANSA-N	169.180	0.906	50	30	ACGC	
C[C@]1(C(=O)CCl)CCOC1=O	238454869	XUIQTILNWLIDIS-SSDOTTSWSA-N	176.599	0.748	50	30	ACGC	
CCc1cc(B(O)O)ccc1F	200886886	SABGKWFFCFAAJF-UHFFFAOYSA-N	167.976	0.068	50	30	ACGC	
CSCN=C=O	39644481	ACQSAKKIGLJHQE-UHFFFAOYSA-N	103.146	0.643	50	30	ACGC	
O=C1CC(C2CC2)CC(=O)O1	106565160	IBMKPMVLCLESSR-UHFFFAOYSA-N	154.165	0.876	50	30	ACGC	
Cl[C@H]1CN2CCN1CC2	96301164	DJALXPSTJMBAIN-ZCFIWIBFSA-N	146.621	0.183	50	30	ACGC	in-vitro
COC(=O)[C@@H]1C[C@@H]1C(=O)Cl	145231636	VOUXEEDGGBGRHN-IUYQGCFVSA-N	162.572	0.561	50	30	ACGC	
O/N=C(/C=N/O)CCl	238856678	WUIGMGPDADRZNJ-UHFFFAOYSA-N	136.538	0.515	50	30	ACGC	
CN(C)/C=C(/C#N)C(=O)/N=C/N(C)C	100256103	NDKHNUVZLDUYNY-FAWHLJIPSA-N	194.238	0.072	50	30	ACGC	
Cc1ccc(NNC(N)=O)cc1	1758058	ZYKTTXOTZLXBES-UHFFFAOYSA-N	165.196	0.990	50	30	ACGC	
O=C1Cc2[nH]ccc2C(=O)O1	105366323	XXDNBXCNUGQZIQ-UHFFFAOYSA-N	151.121	0.254	50	30	ACGC	
C/C(O)=C/C#N	111128211	XFBANCCFILWXGD-RQOWECAXSA-N	83.090	0.972	50	30	ACGC	
CC(=O)N1CC(C)=C(C#N)[C@@H]1O	132502	ZZFYITBLPUPDAC-QMMMGPOBSA-N	166.180	0.007	50	30	ACGC	
CCN1OC[C@@H](Br)C1=O	96034573	BERFWHCYVIYHFS-SCSAIBSYSA-N	194.028	0.544	50	30	ACGC	in-vitro
C/C=C/C=C(/C=O)[C@@H](O)C(C)=O	138240399	VDSLRUXHXCOXFF-LGVBSRDVSA-N	168.192	0.638	50	30	ACGC	
C[C@H]1NC(=O)N(CCCl)C1=O	299805205	CPTYMOQYIFLRJL-SCSAIBSYSA-N	176.603	0.166	50	30	ACGC	
CN(C)c1ccc(NC(=O)NN)cc1	36335746	XRDIEQPIVOEVQU-UHFFFAOYSA-N	194.238	0.748	50	30	ACGC	in-vitro
Cc1ccc(N(N)C(=O)CN)cc1	1307297618	VNNYGBIQQVJHQW-UHFFFAOYSA-N	179.223	0.160	50	30	ACGC	
C=CC(=O)OC[C@@H](O)CCl	5157571	POTYORUTRLSAGZ-YFKPBYRVSA-N	164.588	0.315	50	30	ACGC	
C[C@H]1CN(C(=O)CCl)[C@H](C)O1	45787435	NBPOAFWRBUQKGZ-WDSKDSINSA-N	177.631	0.819	50	30	ACGC	
O=C=NCCl	36155169	XKQTZYDZYSXGBD-UHFFFAOYSA-N	91.497	0.519	50	30	ACGC	
N#C[C@@H](O)c1ccn2ncncc12	259802519	OMJODDDZFPDAEO-MRVPVSSYSA-N	174.163	0.286	50	30	ACGC	
CC(=O)O/N=C/CCl	5161025	NNZSYRJHOFUIEM-ZZXKWVIFSA-N	135.550	0.774	50	30	ACGC	
O=S(=O)(NCCCCl)C1CC1	70909275	QQTPTTYCIPQUAT-UHFFFAOYSA-N	197.687	0.697	50	30	ACGC	
O=C(OO)c1ccncc1	100091837	HLXNIDBHYHZMPM-UHFFFAOYSA-N	139.110	0.711	50	30	ACGC	
CC1(C)OC[C@H](C(=O)CCl)O1	39054915	HONHOFHLFOJBNZ-ZCFIWIBFSA-N	178.615	0.946	50	30	ACGC	
CCCNC(=O)NN(C)C	104612486	FAVKCHHVQIHNSZ-UHFFFAOYSA-N	145.206	0.172	50	30	ACGC	
C[C@]1(CCl)OC[C@H](CO)O1	1998917	LOMFXRJCLQQSJH-WDSKDSINSA-N	166.604	0.349	50	30	ACGC	
C=C1C(=O)OO[C@H]1C	141293400	AJHXYDCRWXLNNL-BYPYZUCNSA-N	114.100	0.420	50	30	ACGC	
C[N+](C)(C)C[C@H](Cl)CO	6068132	TZBNLZYXRYVMNK-LURJTMIESA-N	152.645	0.292	50	30	ACGC	
COC(=O)[C@@H]1C[C@@H]1Br	142007719	HSVUTKNZCLEVQM-DMTCNVIQSA-N	179.013	0.943	50	30	ACGC	
N#CC(=O)N/N=C/c1ccncc1	204985107	GRIUAJFBJYCMQF-IZZDOVSWSA-N	174.163	0.055	50	30	ACGC	
CCOC(=O)NN[C@](C)(C#N)CC	45820482	GVRDTFYONOGCQF-QMMMGPOBSA-N	185.227	0.929	50	30	ACGC	
C[C@H](CCl)N=C=O	34369379	SVMHBOVTFNUJNI-SCSAIBSYSA-N	119.551	0.950	50	30	ACGC	
C#CCOCCOCCCl	104687336	RXHGFGGCHAETOM-UHFFFAOYSA-N	162.616	0.892	50	30	ACGC	
NC(=O)NN=Cc1cccnc1	252447232	HQOXNAZTHRZSNQ-UHFFFAOYSA-N	164.168	0.084	50	30	ACGC	
CN(C)c1nnc(CCl)o1	98095662	WMOFBNFCDDLNEB-UHFFFAOYSA-N	161.592	0.874	50	30	ACGC	in-vitro
CN1CC(=O)N(CCCl)C1=O	34959702	KGVZMEBGSZABMW-UHFFFAOYSA-N	176.603	0.119	50	30	ACGC	
O=C=NC[C@H]1CCOC1	62822095	RGWWNWXLGWYJLV-ZCFIWIBFSA-N	127.143	0.359	50	30	ACGC	in-vitro
CS(=O)(=O)N1CC[C@@H](CCl)C1	71083763	UJIRHMDAYUMIMF-LURJTMIESA-N	197.687	0.507	50	30	ACGC	in-vitro
COC(=O)/C=C/C(=O)Cl	118264089	JHDQHPJHLHKZDL-NSCUHMNNSA-N	148.545	0.481	50	30	ACGC	
O=C1NCC[C@H]1CCBr	238856866	XLLWOGBXABUREF-RXMQYKEDSA-N	192.056	0.908	50	30	ACGC	
CN1CCO[C@H](CCl)C1	57217747	UTYOOBRKCYPDAK-ZCFIWIBFSA-N	149.621	0.556	50	30	ACGC	in-vitro
N#CC1(O)CC1	105331451	UHNIISSYNHNAEM-UHFFFAOYSA-N	83.090	0.035	50	30	ACGC	in-vitro
O=C1OC(=O)C2=C1CSC2	116543107	OEPDMUMGYXMSJZ-UHFFFAOYSA-N	156.162	0.113	50	30	ACGC	
O=[S@]1OC[C@H](CCl)O1	5192023	RGDJXHLNJJZNGO-FIQSIYOXSA-N	156.590	0.219	50	30	ACGC	
CN1CCC[C@H]1CCN=C=O	39080577	KUPACVRFLRQPJB-QMMMGPOBSA-N	154.213	0.807	50	30	ACGC	
N#CC1=C(N)C(C#N)(C#N)CC1	39135546	FJIWMLNSVVVVNH-UHFFFAOYSA-N	158.164	0.550	50	30	ACGC	
CC[C@H](C)OC(=O)NN	39270974	YALLLIUEAPCDCY-BYPYZUCNSA-N	132.163	0.385	50	30	ACGC	
NC(=O)NN=Cc1ccco1	252446803	BAOXJBYPTRZNSH-UHFFFAOYSA-N	153.141	0.282	50	30	ACGC	
CC(=O)CC(=O)NCCCl	33506041	TXICEFBDNMLWRL-UHFFFAOYSA-N	163.604	0.321	50	30	ACGC	
CCOC(=O)C(=O)CCl	39125528	OIQULCHHLQEWPS-UHFFFAOYSA-N	150.561	0.357	50	30	ACGC	
COC(=O)C[S@@](=O)CCCl	59142682	QCASOZFALSMYCA-SNVBAGLBSA-N	184.644	0.147	50	30	ACGC	
N#CC(N)=C(C#N)N=Cc1ccccn1	2265233867	NXXZOBOUYKNUEK-UHFFFAOYSA-N	197.201	0.718	50	30	ACGC	
O=C1C=C(CCl)CO1	5133248	CTCZZJWSQSZQPN-UHFFFAOYSA-N	132.546	0.708	50	30	ACGC	
O=C(O)C#CCCl	5112680	HWIXWJHXUZIGJF-UHFFFAOYSA-N	118.519	0.313	50	30	ACGC	in-vitro
C[C@@H]1O[C@H](C)CN1C(=O)CCl	45787430	NBPOAFWRBUQKGZ-RITPCOANSA-N	177.631	0.819	50	30	ACGC	
C=C[C@H](Cl)C(=O)O	98092262	JQEARNLFCSAAPV-VKHMYHEASA-N	120.535	0.864	50	30	ACGC	
OCC1(CCl)CCNCC1	96032767	OCZFSPJIQTVHAX-UHFFFAOYSA-N	163.648	0.587	50	30	ACGC	
N#CC1=CCC[C@@H]1O	35986223	XYODDUAFKAHJBC-LURJTMIESA-N	109.128	0.591	50	30	ACGC	
Cc1ccc2n1CCN/C2=C\C=O	100341802	LEWFEDHYWUDCLR-WTKPLQERSA-N	176.219	0.940	50	30	ACGC	
FCCNCCBr	2017117	WTIBOBXPBPSNDS-UHFFFAOYSA-N	170.025	0.940	50	30	ACGC	
CN1C(=O)CN(C(=O)Cl)C1=O	39056573	VBYVDRYZQYETQS-UHFFFAOYSA-N	176.559	0.239	50	30	ACGC	
CO[C@@H]1OC[C@H](CCl)O1	196787263	RURIZOFQIQCPBN-CRCLSJGQSA-N	152.577	0.571	50	30	ACGC	
N#CCC[C@H](O)C#N	100139271	DDCDTWPTVDVDDU-YFKPBYRVSA-N	110.116	0.175	50	30	ACGC	
O=C(Cl)N1CCC[C@H](O)C1	39056225	HOPJDMUQXMCFGQ-YFKPBYRVSA-N	163.604	0.802	50	30	ACGC	
N#CC1=CC=C[C@H]2O[C@@H]12	39132290	GNFQBKOLHDJZIP-RQJHMYQMSA-N	119.123	0.774	50	30	ACGC	
Cc1cc(CN=C=O)no1	62822166	HJBKIDCQPTWJOH-UHFFFAOYSA-N	138.126	0.819	50	30	ACGC	in-vitro
C=COC(=O)C[C@@H](C)NNC(C)=O	39126149	FKVLSURMDAWZMA-ZCFIWIBFSA-N	186.211	0.092	50	30	ACGC	
[C-]#[N+][C@@H](CCCC(=O)OC)C(=O)OC	95698056	QVCXUPFOTQKMFV-ZETCQYMHSA-N	199.206	0.791	50	30	ACGC	
BrCc1cnon1	96306901	ZLSXOKCLGJHIKN-UHFFFAOYSA-N	162.974	0.965	50	30	ACGC	
C=C[C@@H](C)N=C=O	117227127	BOEBLZSBALIVQU-RXMQYKEDSA-N	97.117	0.897	50	30	ACGC	
CC1(C)C=C(B(O)O)CC(C)(C)N1	203896480	XCJGSSDBNDKLEP-UHFFFAOYSA-N	183.060	0.475	50	30	ACGC	in-vitro
CC(F)(F)CN=C=O	107270500	AITXOIJGDDQEOX-UHFFFAOYSA-N	121.086	0.977	50	30	ACGC	
CC(=O)OCC#CCCl	38995594	HRWWMYRTNPCIQO-UHFFFAOYSA-N	146.573	0.792	50	30	ACGC	
O=C=NS(=O)(=O)C(F)(F)F	39257190	KDAMMLMNJOOSEG-UHFFFAOYSA-N	175.087	0.172	50	30	ACGC	
O=C1CN(C(=O)Cl)C1	725352135	TVNBNQHWFPIRGW-UHFFFAOYSA-N	133.534	0.230	50	30	ACGC	
Cl[C@H]1CNC[C@@H](Cl)N1	100139057	GSOSRXDQMITLCA-ZXZARUISSA-N	155.028	0.309	50	30	ACGC	
C[C@H](Cl)C(=O)N1CCC(=O)CC1	39055092	LGBPSXRRLAULMX-LURJTMIESA-N	189.642	0.805	50	30	ACGC	
COC(=O)[C@@H](O)CCCCl	104725162	QWPUPPAXYDZQOR-YFKPBYRVSA-N	166.604	0.539	50	30	ACGC	
C[C@]1(CBr)CNC(=O)O1	39091164	IYPLEACUUMKUFW-YFKPBYRVSA-N	194.028	0.880	50	30	ACGC	
COC(=O)CCC(=O)CCl	36437820	LLGRXDHFGMSZNB-UHFFFAOYSA-N	164.588	0.748	50	30	ACGC	in-vitro
C[C@H](Cl)CN1CCOCC1	34467270	DRWDYJVXXHLJLZ-ZETCQYMHSA-N	163.648	0.946	50	30	ACGC	
C[C@H](Cl)CC(=O)CN	216712341	ZYXIWKVGMGTGOQ-BYPYZUCNSA-N	135.594	0.532	50	30	ACGC	
O=C(O)c1cccc(C(=O)O)c1OO	238790527	VTPJMPCOHYJSDC-UHFFFAOYSA-N	198.130	0.935	50	30	ACGC	
OC[C@@H]1C[C@@H]1Cl	90225662	FXUQPSPDDULYHZ-IMJSIDKUSA-N	106.552	0.606	50	30	ACGC	in-vitro
CN(C)[C@@H](Cl)P(=O)(O)O	135878840	HLXNGXGHLKWUNU-GSVOUGTGSA-N	173.536	0.248	50	30	ACGC	
C=C[C@@H](Br)CO	39240190	OFBZLJLUBJMYIT-SCSAIBSYSA-N	151.003	0.928	50	30	ACGC	
O=C=NCc1ccon1	34558898	JZIBPATUFXGOTG-UHFFFAOYSA-N	124.099	0.510	50	30	ACGC	
COC(=O)N(C)CCCl	104724258	RASAJAJIGMQFBL-UHFFFAOYSA-N	151.593	0.923	50	30	ACGC	
CCNCCBr	35052558	WDJFFVCOSRUERU-UHFFFAOYSA-N	152.035	0.991	50	30	ACGC	
CS(=O)(=O)C[C@@H](Cl)C#N	60164087	VIIRIWUPKFAIDK-BYPYZUCNSA-N	167.617	0.162	50	30	ACGC	in-vitro
N#Cc1cnc(CCl)nc1N	104735551	OIUKEYZVGLGNHJ-UHFFFAOYSA-N	168.587	0.669	50	30	ACGC	
O=C(CCl)C[C@@H]1COC(=O)C1	223723109	RRZLCTHDTMNCEY-YFKPBYRVSA-N	176.599	0.748	50	30	ACGC	
FCCn1ncnc1CCl	87777179	ZDCZPKKWJCSSBM-UHFFFAOYSA-N	163.583	0.986	50	30	ACGC	in-vitro
CCOC(=O)[C@@H](Cl)C(=O)CCl	5857231	GPDFVBIDCBPHSW-YFKPBYRVSA-N	199.033	0.965	50	30	ACGC	
C[C@H](Cl)CCO	32301870	UTBUFLARLRSVFF-BYPYZUCNSA-N	108.568	0.996	50	30	ACGC	
O=C1CS[C@H](C(=O)Cl)O1	39056278	ISANVCIPPUINJP-SCSAIBSYSA-N	166.585	0.368	50	30	ACGC	
Cc1cnc2c(c1)C(=O)OC2=O	118660068	DRUFNYZWKFIYCC-UHFFFAOYSA-N	163.132	0.701	50	30	ACGC	
C=CC[N+](C)(C)C[C@@H](O)CCl	6068202	FGJYHLJCGCUKHQ-QMMMGPOBSA-N	178.683	0.849	50	30	ACGC	
CCOCN=C=O	20252602	FTVSQMOUCKBLDZ-UHFFFAOYSA-N	101.105	0.316	50	30	ACGC	
CON(C)C(=O)CCCl	36825764	ICQLPTXIVOLHIX-UHFFFAOYSA-N	151.593	0.635	50	30	ACGC	in-vitro
C[C@@]12C(=O)OC(=O)[C@@H]1[C@@H]1C=C[C@H]2C1	136457878	LTVUCOSIZFEASK-NUMRIWBASA-N	178.187	0.898	50	30	ACGC	
O=C=NC(=O)C(F)(F)Br	307496957	JZJZDTZDUKNVHO-UHFFFAOYSA-N	199.938	0.837	50	30	ACGC	
CCCC[C@@H](NNC(=O)O)C(=O)O	198973155	VTDGMDKNCJYWBG-RXMQYKEDSA-N	190.199	0.402	50	30	ACGC	
Cn1nncc1CBr	82951373	FZQBRDGXJRCQJX-UHFFFAOYSA-N	176.017	0.710	50	30	ACGC	
CCNP(=O)(N1CC1)N1CC1	95705423	GQIJAAHMCTVDJP-UHFFFAOYSA-N	175.172	0.335	50	30	ACGC	
O=S1(=O)CCC[C@@H]1CCl	104714314	LODJXYRWLRCSQQ-RXMQYKEDSA-N	168.645	0.802	50	30	ACGC	
N#C[C@]1(N=C=O)CCOC1	125205669	HDTKJZGKLQOWFB-ZCFIWIBFSA-N	138.126	0.005	50	30	ACGC	
Cn1cncc1/C=C/C#N	39078069	PXEHUYZUCFLKMJ-NSCUHMNNSA-N	133.154	0.957	50	30	ACGC	
NS(=O)(=O)c1ccc(N=C=O)cc1	39054562	IYSAYSBNKDUNKZ-UHFFFAOYSA-N	198.203	0.301	50	30	ACGC	
COC(=O)[C@@H](C)C(=O)Cl	113366942	OWRCJIZVGNZKDU-VKHMYHEASA-N	150.561	0.561	50	30	ACGC	
CCC(=O)NN[C@]1(C)CC(C)=NO1	39126297	CCYSZWRXGAVNCN-QMMMGPOBSA-N	185.227	0.530	50	30	ACGC	
CC(C)(C)OOCCO	100063418	FJAUCWNKOXKMHB-UHFFFAOYSA-N	134.175	0.725	50	30	ACGC	
O[C@H]1C[C@@H]1Cl	39616855	FPRZZQZXVVNHMP-HRFVKAFMSA-N	92.525	0.358	50	30	ACGC	
NCC1(CO)CSSC1	2265385374	PGUWGGQYTZFQRR-UHFFFAOYSA-N	165.283	0.319	50	30	ACGC	
O=C(CCl)N1C=CCC1	39054723	POUVFFBTENVUQE-UHFFFAOYSA-N	145.589	0.971	50	30	ACGC	
N#C[C@H](O)c1ccncc1	100186186	LGOFYIAHSIAFBM-ZETCQYMHSA-N	134.138	0.639	50	30	ACGC	
N[C@H](CCCBr)C(=O)O	117034196	KMDWDDWAOAVFJH-SCSAIBSYSA-N	196.044	0.573	50	30	ACGC	
CC#CC#CC#C/C=C/C=O	13433998	VUDTWAKUCKMKKY-CMDGGOBGSA-N	142.157	0.772	50	30	ACGC	
O=C=NCCCN1CCOCC1	45206151	WSCLMXINSZAWHZ-UHFFFAOYSA-N	170.212	0.045	50	30	ACGC	
NNC(=O)c1ccnc2[nH]ccc12	67172060	UUCFARQWMALSGM-UHFFFAOYSA-N	176.179	0.166	50	30	ACGC	
[N-]=[N+]=NCC(=O)OC(=O)CN=[N+]=[N-]	198718934	VMAWNCFNXOKHQO-UHFFFAOYSA-N	184.115	0.677	50	30	ACGC	
O=C=N[C@H]1C[C@H]2CC[C@H]1O2	133360686	CLXKEBVNFGJZPH-DSYKOEDSSA-N	139.154	0.642	50	30	ACGC	
OB(O)/C=C/COc1ccccc1	196147163	LHDGQFOYHNIJDM-QPJJXVBHSA-N	177.996	0.634	50	30	ACGC	
OC[C@@H](F)CBr	34283258	HJPIXHRDTUXVJH-VKHMYHEASA-N	156.982	0.712	50	30	ACGC	
C[Si](C)(C)OCCOCCN	197051894	WKAXHCKPVDHDOM-UHFFFAOYSA-N	177.320	0.813	50	30	ACGC	
C[C@@H](Cl)S(=O)(=O)O	32139704	LHORZPMPPHTXFQ-REOHCLBHSA-N	144.579	0.459	50	30	ACGC	in-vitro
C=C[C@@H](O)C#N	95831513	WKFMHXZXCCJSJK-SCSAIBSYSA-N	83.090	0.057	50	30	ACGC	
C[Si]1(C)OCC(O)CO1	195766045	PXKUKOZEWCQWRX-UHFFFAOYSA-N	148.234	0.096	50	30	ACGC	
CN(C)[S@](C)(=O)=NC(=O)CCl	407986102	AGVHWEUPCMYLNY-LLVKDONJSA-N	198.675	0.326	50	30	ACGC	
CC1=CC(=O)OC(=O)/C1=C(/C)O	100222146	XNQLQWKPELVAAC-ALCCZGGFSA-N	168.148	0.848	50	30	ACGC	
OB(O)c1cccc([C@H]2CC2(F)F)c1	238650017	VULAQLXLRKLYLZ-MRVPVSSYSA-N	197.977	0.489	50	30	ACGC	
CC(C)[C@]1(C)NC(=O)OC1=O	100223422	OKQPWIQNBZVOCH-ZETCQYMHSA-N	157.169	0.668	50	30	ACGC	
C[C@@H](O)COC(=O)CBr	6036657	YLKMTQHJTPXQOL-SCSAIBSYSA-N	197.028	0.305	50	30	ACGC	
S=C=N[C@H]1CCOC1	84238272	USGDSJYCXCLAFX-YFKPBYRVSA-N	129.184	0.878	50	30	ACGC	
C[C@H](O)CCCl	39235876	AKMIPCJUTXDZKR-BYPYZUCNSA-N	108.568	0.996	50	30	ACGC	in-vitro
CCC1CC(=O)OC(=O)C1	106563923	YIEQRBOBYGITMJ-UHFFFAOYSA-N	142.154	0.876	50	30	ACGC	
O=C=N[C@H]1CCSC1=O	217932789	RCEVODSWDXXEEP-BYPYZUCNSA-N	143.167	0.354	50	30	ACGC	
CC1(C)C[C@@H]1B(O)O	200987515	JKKPTKXTGDWIQJ-BYPYZUCNSA-N	113.953	0.259	50	30	ACGC	
CCO[C@@H](O)CC(=O)CCl	39125736	BHUGTSWSJBTNKT-ZCFIWIBFSA-N	166.604	0.539	50	30	ACGC	
C/C(=N\O)C(=O)CBr	33940347	ZVOVQZPLRVLEMI-ZZXKWVIFSA-N	180.001	0.801	50	30	ACGC	
N#CC=C(C#N)C#N	111352308	ZRSVHSCCNNSGKM-UHFFFAOYSA-N	103.084	0.484	50	30	ACGC	
OC(O)(Cl)CCCCl	299754844	YBKBPQDCHHVCHS-UHFFFAOYSA-N	159.012	0.883	50	30	ACGC	
C/C=C/N=C=O	5132872	QWBNZGHJDZEJBE-NSCUHMNNSA-N	83.090	0.856	50	30	ACGC	
C[N+](C)(C#N)[C@H](Cl)CCC(=O)O	149599138	RWFHESXUMALJEW-LURJTMIESA-O	191.638	0.974	50	30	ACGC	
CC(C)(O)C(=O)CBr	38325033	UTWKJAQRVLPKFU-UHFFFAOYSA-N	181.029	0.721	50	30	ACGC	
CC1=NC=C[C@@H]2NC(=O)C(C#N)=C[C@@H]12	49942668	ZVPAFGBMXBIKHD-IUCAKERBSA-N	187.202	0.539	50	30	ACGC	
NC(=O)N/N=C/c1cc(F)cc(F)c1	110591	PGQKELRIYVGNOS-UUILKARUSA-N	199.160	0.967	50	30	ACGC	
COC[C@@H](C)CN=C=O	62822152	OCMZIAIULBWLPF-LURJTMIESA-N	129.159	0.605	50	30	ACGC	
CC[S@](=O)Cl	100553668	CXAVWUXAKZJEBR-RXMQYKEDSA-N	112.581	0.909	50	30	ACGC	in-vitro
N#CC(C#N)=C1C=NC=CN1	104695714	ITVKHRDLCOQNGG-UHFFFAOYSA-N	144.137	0.433	50	30	ACGC	in-vitro
COC(=O)[C@@H]1CC/C(=C/C#N)N1	33843923	RKPPAGDTSUPCGI-NGAMADIESA-N	166.180	0.319	50	30	ACGC	
O=C=NCOCC(F)(F)F	78210710	KCLRGAMHHITBSC-UHFFFAOYSA-N	155.075	0.859	50	30	ACGC	
C=C[C@H](O)C#N	95831512	WKFMHXZXCCJSJK-BYPYZUCNSA-N	83.090	0.057	50	30	ACGC	
OB(O)c1cccc2cc(F)ccc12	238626795	QHQMMKAWEVRYNR-UHFFFAOYSA-N	189.982	0.659	50	30	ACGC	
C[C@@H]1NC=C2C(=O)OCCC2=C1C=O	30727014	GLNRAZLQBMAROT-LURJTMIESA-N	193.202	0.304	50	30	ACGC	biogenic,in-vitro
CCOC(=O)N(C)C(=O)CCl	38611032	AYUMCDSXPRPYLX-UHFFFAOYSA-N	179.603	0.840	50	30	ACGC	
CC[C@H]1CC(=O)OC1=O	100060657	YRTGWRSQRUHPKX-BYPYZUCNSA-N	128.127	0.486	50	30	ACGC	
ClCc1nnc2cccnn12	306679215	HZPYQKGZOZIEDV-UHFFFAOYSA-N	168.587	0.863	50	30	ACGC	
O=C=NCCc1cccnc1	39051707	OUHCVNVFOZITKN-UHFFFAOYSA-N	148.165	0.960	50	30	ACGC	
ClCCc1ncn[nH]1	34072422	XENZYFJYLCYENW-UHFFFAOYSA-N	131.566	0.586	50	30	ACGC	
O=C(O)[C@@H]1C[C@H](Cl)CN1	104608065	UYZNMRJCNSDDFV-IMJSIDKUSA-N	149.577	0.040	50	30	ACGC	
CC(C)(F)c1ccc(B(O)O)cc1	238135969	XCMMMRTYWQGKAI-UHFFFAOYSA-N	182.003	0.571	50	30	ACGC	
OB(O)c1ccc([C@@H]2CC2(F)F)cc1	238645310	SNXLZBXXKBBAHH-QMMMGPOBSA-N	197.977	0.489	50	30	ACGC	
CC[S@@](=O)Cl	100553665	CXAVWUXAKZJEBR-YFKPBYRVSA-N	112.581	0.909	50	30	ACGC	in-vitro
C[C@H](N)C(=O)OCCCl	39072843	JVBYOKWZWMIKQZ-BYPYZUCNSA-N	151.593	0.116	50	30	ACGC	
O=C1Cc2occc2C(=O)O1	216712983	OUIPEKSWVBEWLR-UHFFFAOYSA-N	152.105	0.519	50	30	ACGC	in-vitro
CC(C)[C@]12C[C@H]1C(=O)OC2=O	100265042	AWMMNTQOXJVBOX-YLWLKBPMSA-N	154.165	0.732	50	30	ACGC	
CN(C)c1ccsc1C(=O)NN	80284	GXBLQZYLDHMXFY-UHFFFAOYSA-N	185.252	0.418	50	30	ACGC	
N#Cc1nc(CCl)cnc1N	32169920	DFKLUMFIWPTGHP-UHFFFAOYSA-N	168.587	0.669	50	30	ACGC	
O=C(O)CCCN=C=S	13558828	RYKZJWRREHJQMQ-UHFFFAOYSA-N	145.183	0.954	50	30	ACGC	
NCC1CC(Cl)C1	129666938	IQBDPTFMKXVXIN-UHFFFAOYSA-N	119.595	0.963	50	30	ACGC	
C#CCCN=C=O	59390767	JZSAIPYFALMQNM-UHFFFAOYSA-N	95.101	0.346	50	30	ACGC	
O=c1ccc(CCl)n[nH]1	82447385	PAVDYTQBVFBTPW-UHFFFAOYSA-N	144.561	0.509	50	30	ACGC	
N#CC1=CCC[C@@H](O)C1	201491756	PGGSOJWTUDVDGN-SSDOTTSWSA-N	123.155	0.981	50	30	ACGC	
O=C=NC1CCC(N=C=O)CC1	2036053	CDMDQYCEEKCBGR-UHFFFAOYSA-N	166.180	0.969	50	30	ACGC	
Cc1cccc2cc(B(O)O)[nH]c12	199623700	SMRHPDDQEIFCBO-UHFFFAOYSA-N	174.996	0.156	50	30	ACGC	
NS(=O)(=O)C1(CCl)CC1	584883066	LMIZEKCVPSFSDJ-UHFFFAOYSA-N	169.633	0.046	50	30	ACGC	
C[C@H](Br)C(=N)N	1437873	YMHRKSPCWUBBSS-REOHCLBHSA-N	151.007	0.706	50	30	ACGC	
C[C@@H](O)CSS(C)(=O)=O	1849677	CYRYBYQBGSMZMK-SCSAIBSYSA-N	170.255	0.060	50	30	ACGC	
CC(=O)N[C@H](C)CCl	83599820	ANLUXOVOERTUOI-SCSAIBSYSA-N	135.594	0.750	50	30	ACGC	
CCOC(=O)C(C)(C)N=C=O	58517736	LBEMMTLYTQZOMH-UHFFFAOYSA-N	157.169	0.664	50	30	ACGC	in-vitro
NNC(=O)CSc1ccccc1O	82473309	XFSXRHPYSXXMDI-UHFFFAOYSA-N	198.247	0.474	50	30	ACGC	in-vitro
CCOCC(=O)CCl	34160077	GRKKNKUHYNPYKG-UHFFFAOYSA-N	136.578	0.831	50	30	ACGC	
N#Cc1cccc2cccc(B(O)O)c12	709687356	AYUMIYUPNRCUOH-UHFFFAOYSA-N	197.002	0.391	50	30	ACGC	
NC(=O)N(CCF)N=O	5113373	CVNSFWDAXAKBIM-UHFFFAOYSA-N	135.098	0.018	50	30	ACGC	
CCOC(=O)c1cnn(C)c1N=C=O	75844082	LZSQROQCYKVYGA-UHFFFAOYSA-N	195.178	0.564	50	30	ACGC	
CN(C)/C=C(\C#N)C(=O)C1CC1	12341207	IPHVCQSSBNWGDR-SOFGYWHQSA-N	164.208	0.935	50	30	ACGC	
CN(C)CC(=O)CBr	39128433	YVLRLOJNYCVFFW-UHFFFAOYSA-N	180.045	0.512	50	30	ACGC	
Nc1ccc(CCl)nn1	104651899	XMLZXEMUPMLDIS-UHFFFAOYSA-N	143.577	0.798	50	30	ACGC	in-vitro
CN(C)C/C=C/C(=O)Cl	34075503	BOTUQNGRMXZOTH-ONEGZZNKSA-N	147.605	0.870	50	30	ACGC	
C=C(C)CN=C=O	117221257	BPNXXMUMCQMFLU-UHFFFAOYSA-N	97.117	0.898	50	30	ACGC	
CCOC(=O)[C@@H](Br)OC	146343630	APCUBDDQHWZUHL-BYPYZUCNSA-N	197.028	0.917	50	30	ACGC	
CC(=O)[C@H]1C[C@@H](Cl)CN1C	39115718	OHKDLEVCIHLDMT-RNFRBKRXSA-N	161.632	0.887	50	30	ACGC	
COC(=O)[C@H](Cl)C(=O)CCl	5997196	UTBKSYHAYRTIIN-SCSAIBSYSA-N	185.006	0.575	50	30	ACGC	
N#CSCCCN	104635361	WNRFUMOSXLKUHG-UHFFFAOYSA-N	116.189	0.549	50	30	ACGC	in-vitro
N#C[C@H](O)c1ccn2ncncc12	259802522	OMJODDDZFPDAEO-QMMMGPOBSA-N	174.163	0.286	50	30	ACGC	
CN1CCN(SC#N)CC1	39113574	YOHBXMJPBJLDNY-UHFFFAOYSA-N	157.242	0.363	50	30	ACGC	
C[C@@]1(CBr)CNC(=O)C1	536948497	PXKGKCCCSNKGDP-ZCFIWIBFSA-N	192.056	0.908	50	30	ACGC	
O=C1OC(=O)[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1	58482313	LQOPXMZSGSTGMF-UMRXKNAASA-N	166.176	0.732	50	30	ACGC	
CCCC[C@H](NNC(=O)O)C(=O)O	198973133	VTDGMDKNCJYWBG-YFKPBYRVSA-N	190.199	0.402	50	30	ACGC	
COC(=O)[C@@H](CCSC)N=C=O	2524702	LTRPJRSRZAQDQI-ZCFIWIBFSA-N	189.236	0.617	50	30	ACGC	
COC(=O)NC[C@@](C)(O)CCl	39126407	LHVOLRXWLGPXLX-LURJTMIESA-N	181.619	0.332	50	30	ACGC	
C=C(C)N=C=O	39350392	UKQJZQQPMIFNHE-UHFFFAOYSA-N	83.090	0.856	50	30	ACGC	
N#CC1(O)CCSCC1	104347965	DFNLMGPHQQCJDR-UHFFFAOYSA-N	143.211	0.768	50	30	ACGC	
CN(C)C=NNC(=O)c1ccncc1	1669331	OJYQADLIYHRBEX-UHFFFAOYSA-N	192.222	0.316	50	30	ACGC	
CN1CCC(C)(OC(=O)NN)CC1	39090268	GFZNQQJILSUZEM-UHFFFAOYSA-N	187.243	0.071	50	30	ACGC	
CCOC(=O)[C@@H](Cl)NC(C)=O	140531022	CHYHOSYHUSIVCU-YFKPBYRVSA-N	179.603	0.251	50	30	ACGC	
Cc1cc(C(=O)NN)oc1C	39136547	NNFGGXKPJSXIRT-UHFFFAOYSA-N	154.169	0.500	50	30	ACGC	
CC(C)NC(=O)CN=C=S	36781813	LAKDTYAFBINHID-UHFFFAOYSA-N	158.226	0.614	50	30	ACGC	in-vitro
C[N+](C)(C)/C=C\C#N	585138909	WODUYJJMWIIXDU-XQRVVYSFSA-N	111.168	0.730	50	30	ACGC	
CN(C=C(C#N)C#N)CC#N	39079558	LADCLJWMEGUQMK-UHFFFAOYSA-N	146.153	0.373	50	30	ACGC	
CN(C)C(=O)CCN=C=S	44995102	ZWWKEVYFKUZQLH-UHFFFAOYSA-N	158.226	0.568	50	30	ACGC	
CCNC(=O)C(Cl)Cl	5456307	HOKASXOKIJKOCM-UHFFFAOYSA-N	156.012	0.926	50	30	ACGC	
CC(=O)CNC(=O)[C@H](C)Cl	95348040	NKIPZMJZHFZHKH-YFKPBYRVSA-N	163.604	0.319	50	30	ACGC	in-vitro
COCC#CCCl	83255142	VTLCLYKXNBWOJM-UHFFFAOYSA-N	118.563	0.875	50	30	ACGC	in-vitro
COC[C@H](C)CN=C=O	62822153	OCMZIAIULBWLPF-ZCFIWIBFSA-N	129.159	0.605	50	30	ACGC	
CN(C)Cc1ccc(C(=O)NN)cc1	36962761	XSCJOSIKBZAKGM-UHFFFAOYSA-N	193.250	0.352	50	30	ACGC	
O=C(Cl)COc1ccon1	39113098	LFMNCOJTTOSGQC-UHFFFAOYSA-N	161.544	0.819	50	30	ACGC	
N#CC(C#N)=CNc1ncccn1	93631	UUEZIALVUKHJGG-UHFFFAOYSA-N	171.163	0.820	50	30	ACGC	
COC(=O)NN=CCCl	390822838	LDIFTOMBDSYABR-UHFFFAOYSA-N	150.565	0.567	50	30	ACGC	
O=C(O)C1(C(=O)Cl)CC1	39055994	KSMIGIFQMGOSQK-UHFFFAOYSA-N	148.545	0.617	50	30	ACGC	
CC1(N=C=O)COC1	88189865	KQFZLTBYKCEPKI-UHFFFAOYSA-N	113.116	0.111	50	30	ACGC	
CN(C)[S@](=O)Cl	100378388	AFVJGYRAILXFPC-LURJTMIESA-N	127.596	0.366	50	30	ACGC	
O=C1C=C(CCl)[C@H](O)O1	5133056	CGGKPVLGRJYRIP-RXMQYKEDSA-N	148.545	0.027	50	30	ACGC	
C[C@@H](Cl)C(=O)NC(C)(C)CO	40800254	KQFNHKRIDIAMPZ-RXMQYKEDSA-N	179.647	0.501	50	30	ACGC	in-vitro
COC(=O)C[C@](C)(O)CCl	104721973	ZHWGOPAJGDJKOA-LURJTMIESA-N	166.604	0.539	50	30	ACGC	
O[C@H]1C[C@H](Cl)C1	299805565	VCKZBLJCERMHRB-JPYJGEKTSA-N	106.552	0.749	50	30	ACGC	
COc1cc(CCl)nc(N)n1	34175068	FDOYEXXNKXTTKX-UHFFFAOYSA-N	173.603	0.806	50	30	ACGC	
CN(C)CC(C)(C)[C@H](O)C#N	95829047	SIKJSEBSRRCVND-SSDOTTSWSA-N	156.229	0.459	50	30	ACGC	
C=CCOC(=O)[C@@H](O)CCl	104722337	ZUQYJMKCUZGICW-YFKPBYRVSA-N	164.588	0.315	50	30	ACGC	
[C-]#[N+]C1COC1	721033988	DMWWEEPAORDSGN-UHFFFAOYSA-N	83.090	0.304	50	30	ACGC	
O=NN(CCF)C(=O)NCCF	4919260	GWRLHZIGYXCDKL-UHFFFAOYSA-N	181.142	0.618	50	30	ACGC	
CON1CC[C@@H](Br)C1=O	34183870	ZIGBEYWHKOXLDB-SCSAIBSYSA-N	194.028	0.544	50	30	ACGC	
CC(C)(O)C(C)(C)OB(O)CCl	196746225	KXBUTTZWIDACCF-UHFFFAOYSA-N	194.467	0.811	50	30	ACGC	
CC(=O)C(CCl)=NO	352009978	YOZWFAYEDBGMDN-UHFFFAOYSA-N	135.550	0.644	50	30	ACGC	
CC(C)(F)[C@@H](O)C#N	137747633	UZZMXVFPHZAAJR-BYPYZUCNSA-N	117.123	0.619	50	30	ACGC	
CC(=O)NCCSSCCN	114284310	SDYVWPDOURNSRC-UHFFFAOYSA-N	194.325	0.463	50	30	ACGC	
COC[C@@H](O)CBr	83822027	JVKQRGSQZKDSLQ-BYPYZUCNSA-N	169.018	0.389	50	30	ACGC	
C[C@H](Cl)S(=O)(=O)O	32139705	LHORZPMPPHTXFQ-UWTATZPHSA-N	144.579	0.459	50	30	ACGC	in-vitro
O=CC1=C[C@H](O)CCC1	38250893	URHLBJORXQXSQF-SSDOTTSWSA-N	126.155	0.657	50	30	ACGC	
O=C1Cn2cccc2C(=O)O1	616582097	BUEFEPGXIYXLQZ-UHFFFAOYSA-N	151.121	0.185	50	30	ACGC	
C=C[C@@H](Cl)CO	1854464	FNBIWDGYHRVZFA-SCSAIBSYSA-N	106.552	0.772	50	30	ACGC	
O=C=Nc1ncccn1	39052914	NDQSFGFRMPGVLN-UHFFFAOYSA-N	121.099	0.444	50	30	ACGC	
CC(C)[C@H]1N/C(=C\C=O)OC1=O	39104369	OCWUJSBIGSLEIV-XUTFHDRNSA-N	169.180	0.198	50	30	ACGC	
C[Si](C)(O)O[Si](C)(C)O	195763208	PFEAZKFNWPIFCV-UHFFFAOYSA-N	166.325	0.391	50	30	ACGC	in-vitro
C[C@H](O)CSS(C)(=O)=O	1849675	CYRYBYQBGSMZMK-BYPYZUCNSA-N	170.255	0.060	50	30	ACGC	
COC(=O)[C@H](Cl)[C@@H](C)O	32134400	ZDCDXBCIJDUWEO-QWWZWVQMSA-N	152.577	0.148	50	30	ACGC	
CCOC(=O)/C(C#N)=C1\CC[C@@H]2O[C@@H]12	100136155	IMIUNGKUNLNFFK-YKAJXJTPSA-N	193.202	0.931	50	30	ACGC	
O=C1C[C@H](Cl)C(=O)O1	100085474	RIHWJROUZAYQGA-REOHCLBHSA-N	134.518	0.067	50	30	ACGC	
C#CCNNC(=O)OC(C)(C)C	39094237	VCOQYSBEWCMFFU-UHFFFAOYSA-N	170.212	0.649	50	30	ACGC	
CCC(=O)NN[C@@]1(C)CC(C)=NO1	39126298	CCYSZWRXGAVNCN-MRVPVSSYSA-N	185.227	0.530	50	30	ACGC	
O[C@H]1C[C@H]1Cl	39616853	FPRZZQZXVVNHMP-GBXIJSLDSA-N	92.525	0.358	50	30	ACGC	
COC1CC(N=C=O)C1	234643323	HFIRQBTYRUPDKE-UHFFFAOYSA-N	127.143	0.500	50	30	ACGC	
CN(CCC#N)C(=O)CCCl	19833431	GOAKUMCAEHLLJH-UHFFFAOYSA-N	174.631	0.987	50	30	ACGC	
CCOC(=O)[C@@H](Cl)CO	33610068	DKHCAMTWKGNZQO-BYPYZUCNSA-N	152.577	0.149	50	30	ACGC	
CCOC(=O)[C@H](Cl)C(=O)CCl	5856537	GPDFVBIDCBPHSW-RXMQYKEDSA-N	199.033	0.965	50	30	ACGC	
OC[C@H]1C[C@H]1Cl	90225660	FXUQPSPDDULYHZ-QWWZWVQMSA-N	106.552	0.606	50	30	ACGC	in-vitro
O=C(O)[C@@H]1C[C@H]1Cl	39642213	KIOFZHBEJQGHPB-PWNYCUMCSA-N	120.535	0.698	50	30	ACGC	
CP(C)(=O)N=C=O	147775433	ZMCGSUJXFBIZPK-UHFFFAOYSA-N	119.060	0.860	50	30	ACGC	
N[C@H](CCl)Cc1c[nH]cn1	33835589	MPEOXRFPLFJWSZ-YFKPBYRVSA-N	159.620	0.518	50	30	ACGC	in-vitro
O=C1Cc2sccc2C(=O)O1	106170746	WRNGVVSWLBTGHT-UHFFFAOYSA-N	168.173	0.988	50	30	ACGC	
CN1CC[C@H](CBr)C1=O	306868039	QIKKHHFCKXVJRL-RXMQYKEDSA-N	192.056	0.860	50	30	ACGC	
Cc1ccc2cccnc2c1B(O)O	238529610	BEWVXFMAVSQDIT-UHFFFAOYSA-N	187.007	0.223	50	30	ACGC	
COC(=O)NNC(=N)[C@@H](C)Cl	96327072	QTJOSYFVNQMWAV-GSVOUGTGSA-N	179.607	0.452	50	30	ACGC	
O=C=N[C@H]1CC[C@@H](C(=O)O)C1	39066484	UEXREFLGEFLWFJ-RITPCOANSA-N	155.153	0.576	50	30	ACGC	
NNC(=O)Cc1csc(Cl)n1	238659905	ZPEBROWFHDWYRU-UHFFFAOYSA-N	191.643	0.329	50	30	ACGC	
O=C=NS(=O)(=O)C1CCCC1	71494919	YVXQVBWQXMHHSU-UHFFFAOYSA-N	175.209	0.595	50	30	ACGC	in-vitro
CSC[C@H](O)CCl	6019756	IIFURGVYJWZDRN-SCSAIBSYSA-N	140.635	0.949	50	30	ACGC	
C/C(C=O)=C/C=C(/N)C(=O)O	39057822	RJEIXJLDJPPFTI-JGDUWUCISA-N	155.153	0.059	50	30	ACGC	in-vitro
C[C@@H](O)CCCl	39235877	AKMIPCJUTXDZKR-SCSAIBSYSA-N	108.568	0.996	50	30	ACGC	in-vitro
COC(=O)[C@@H](Cl)[C@@H](C)OC	238395803	PNZMONLMUQDBJM-UHNVWZDZSA-N	166.604	0.802	50	30	ACGC	
CC[C@@H](O)CCl	32210325	VNBFUGOVQMFIRN-SCSAIBSYSA-N	108.568	0.996	50	30	ACGC	in-vitro
Cn1cc(CCCl)nn1	52226575	JDFYKPBKXFLWRD-UHFFFAOYSA-N	145.593	0.596	50	30	ACGC	
Cc1cccc(/C=N/NC(N)=O)n1	95935988	OVAJJTKLTHDKNX-BJMVGYQFSA-N	178.195	0.392	50	30	ACGC	
O=[S@@]1OC[C@H](CCl)O1	5192030	RGDJXHLNJJZNGO-SUZIUWRMSA-N	156.590	0.219	50	30	ACGC	
CC(=O)[C@@H]1C[C@H](Cl)CN1C	39115712	OHKDLEVCIHLDMT-BQBZGAKWSA-N	161.632	0.887	50	30	ACGC	
N#CC1=CC=C[C@H]2O[C@H]12	100498979	GNFQBKOLHDJZIP-RNFRBKRXSA-N	119.123	0.774	50	30	ACGC	
CCOC(=O)CN(C)C(=O)Cl	958678964	OHGJZKDJUOSKEX-UHFFFAOYSA-N	179.603	0.840	50	30	ACGC	
CCOC(=O)[C@H](Cl)CO	33610069	DKHCAMTWKGNZQO-SCSAIBSYSA-N	152.577	0.149	50	30	ACGC	
C[C@H](CCl)CS(C)(=O)=O	70067540	ZCCSBEINTQALFZ-RXMQYKEDSA-N	170.661	0.906	50	30	ACGC	
O=C[C@@H](Cl)[C@@H](O)CCl	101249437	UYQSFAFDOTVORC-DMTCNVIQSA-N	156.996	0.392	50	30	ACGC	
O=C(Cl)CCN1C(=O)C=CC1=O	113565950	JSKXOOWYYVFZPG-UHFFFAOYSA-N	187.582	0.067	50	30	ACGC	
Cc1cc(C(=O)NN)n(C(C)(C)C)n1	122031	VNTJKBUNSPBHMW-UHFFFAOYSA-N	196.254	0.550	50	30	ACGC	
O=C1NCC[C@@H]1CCBr	238856867	XLLWOGBXABUREF-YFKPBYRVSA-N	192.056	0.908	50	30	ACGC	
C=C[C@H](Br)CO	39240189	OFBZLJLUBJMYIT-BYPYZUCNSA-N	151.003	0.928	50	30	ACGC	
N#CCN1CC(Br)C1	34579045	PJASADWILQWOAP-UHFFFAOYSA-N	175.029	0.589	50	30	ACGC	
CC(C)(C)OC(=O)NNCCCO	39091105	CAWRWMPTVXCCSJ-UHFFFAOYSA-N	190.243	0.398	50	30	ACGC	
O=C(Cl)OC[C@@H]1COC(=O)O1	5157228	OBTAECLHONHFSZ-GSVOUGTGSA-N	180.543	0.897	50	30	ACGC	
Cl[C@H]1CNC[C@H](Cl)N1	100139060	GSOSRXDQMITLCA-QWWZWVQMSA-N	155.028	0.309	50	30	ACGC	
O=C1Cc2cscc2C(=O)O1	147741800	DVJRFNXUPCOKTM-UHFFFAOYSA-N	168.173	0.988	50	30	ACGC	
CC(=O)N[C@@H](C)CCl	83599819	ANLUXOVOERTUOI-BYPYZUCNSA-N	135.594	0.750	50	30	ACGC	
NNC(=O)CSc1cccs1	126573	DAKDRBDXRWKBRS-UHFFFAOYSA-N	188.277	0.830	50	30	ACGC	
CN(C)C(=O)CN=C=S	36379838	LYUDHYFVCISADE-UHFFFAOYSA-N	144.199	0.177	50	30	ACGC	in-vitro
Cl[C@@H]1CNC[C@@H](Cl)N1	100139059	GSOSRXDQMITLCA-IMJSIDKUSA-N	155.028	0.309	50	30	ACGC	
COC(=O)C12CC(C(=O)F)(C1)C2	39056356	XEUXELYQYRQOID-UHFFFAOYSA-N	172.155	0.826	50	30	ACGC	
Cn1cc(CCBr)nn1	52227822	NEUXXJVXPNKZDI-UHFFFAOYSA-N	190.044	0.753	50	30	ACGC	
COC(=O)C1(N=C=O)CC1	39087325	OSUNRHSIPLLHEN-UHFFFAOYSA-N	141.126	0.028	50	30	ACGC	
CN(C)C(=O)N(C)C(=O)Cl	34621868	KARPAXFMDRDIJO-UHFFFAOYSA-N	164.592	0.959	50	30	ACGC	
CO[C@@H](Br)C(C)=O	39254913	IWHDYUZUBHRPFK-SCSAIBSYSA-N	167.002	0.943	50	30	ACGC	
O=C=N[C@@H]1CCSC1	60161776	QHWLFULOSCBUMM-RXMQYKEDSA-N	129.184	0.828	50	30	ACGC	
COC(OC)[C@@H](C)N=C=O	215459711	XSKPXLHSPIQLLU-RXMQYKEDSA-N	145.158	0.330	50	30	ACGC	
NNC(=O)[C@H]1CC=CCC1	33790328	KKSPWSLJBKFCGA-LURJTMIESA-N	140.186	0.333	50	30	ACGC	
O=CC1=CCCN2CCC[C@@H]12	39062155	JJSJBRXWYLDVAQ-VIFPVBQESA-N	151.209	0.980	50	30	ACGC	
C[N+](C)(C)C[C@@H](Cl)CO	6068146	TZBNLZYXRYVMNK-ZCFIWIBFSA-N	152.645	0.292	50	30	ACGC	
CCC1=CC(=O)OC1=O	113196481	AXGOOCLYBPQWNG-UHFFFAOYSA-N	126.111	0.406	50	30	ACGC	
C=CC(=O)NCCCl	75772123	WSLOZQLOMMLGPY-UHFFFAOYSA-N	133.578	0.527	50	30	ACGC	in-vitro
Cc1cc(C(=O)NN(C)C)on1	39113327	XEYVMBXTCZATAS-UHFFFAOYSA-N	169.184	0.189	50	30	ACGC	
C[C@H](N=C=O)C(F)F	59208875	CALYRIKEOPMWSW-VKHMYHEASA-N	121.086	0.976	50	30	ACGC	
CN(C)NC(=O)Nc1cccc(N)c1	98209873	IRVJLULZMISUQD-UHFFFAOYSA-N	194.238	0.867	50	30	ACGC	
NCC1(NC(=O)CCl)CCCC1	12357187	TYDIVOQYEDVDSC-UHFFFAOYSA-N	190.674	0.613	50	30	ACGC	
O=C=NC1CC(=O)C1	259075882	CGVAGVVILRBOOO-UHFFFAOYSA-N	111.100	0.054	50	30	ACGC	
OC1CC(Br)C1	306721282	HWLHFIFQJICDNX-UHFFFAOYSA-N	151.003	0.905	50	30	ACGC	
O=C(O)CCCCCB(O)O	201375993	RCIVCQNKPBGVPA-UHFFFAOYSA-N	159.978	0.104	50	30	ACGC	
CCOC(=O)NN=CCCl	254387334	MOGRANVSCOEDEG-UHFFFAOYSA-N	164.592	0.957	50	30	ACGC	
OC[C@H]1C[C@@H]1Cl	34518783	FXUQPSPDDULYHZ-DMTCNVIQSA-N	106.552	0.606	50	30	ACGC	in-vitro
COC(=O)NN(C(N)=O)C(C)C	39139054	KTUIQAMTCMNDCI-UHFFFAOYSA-N	175.188	0.047	50	30	ACGC	
CS(=O)(=O)N1CC[C@H](CCl)C1	71083762	UJIRHMDAYUMIMF-ZCFIWIBFSA-N	197.687	0.507	50	30	ACGC	in-vitro
O=C1CC2(CCC2)C(=O)O1	211243611	KPERWZWALZPKGQ-UHFFFAOYSA-N	140.138	0.630	50	30	ACGC	in-vitro
CC1(C)OC=C(C(=O)Cl)C(=O)O1	39056873	NGZHSLRXIGDRTN-UHFFFAOYSA-N	190.582	0.945	50	30	ACGC	
C=CS(=O)(=O)CCCl	34478105	XSFWXFNRRQJFKN-UHFFFAOYSA-N	154.618	0.784	50	30	ACGC	in-vitro
COC(=O)[C@@H](Cl)CSC(=N)N	4620968	NQDLECWPTPMLDZ-VKHMYHEASA-N	196.659	0.393	50	30	ACGC	
NC(=O)CCCN=C=S	37660493	LBJMPKMAYIWQCQ-UHFFFAOYSA-N	144.199	0.355	50	30	ACGC	in-vitro
O=C(O)c1cn(CCCl)nn1	75565802	KIMWMHCEZOYKQW-UHFFFAOYSA-N	175.575	0.215	50	30	ACGC	
C=CCN/C(SC)=C(/C#N)C(N)=O	3126324	UDDKHQDSQMDJPZ-SOFGYWHQSA-N	197.263	0.345	50	30	ACGC	
N[C@@H](CSCCCl)C(=O)O	1763736	STIGFNKEUDOLLO-BYPYZUCNSA-N	183.660	0.370	50	30	ACGC	
OC1(CCl)CCOCC1	196376508	OUHKFXVGQOYKIY-UHFFFAOYSA-N	150.605	0.767	50	30	ACGC	
CC[C@]1(C)CC(=O)OC1=O	100890993	HRMQFEOLGGKZLJ-SSDOTTSWSA-N	142.154	0.876	50	30	ACGC	in-vitro
Cn1cnc(CBr)n1	117860707	OHHUXUIPLIQQKZ-UHFFFAOYSA-N	176.017	0.710	50	30	ACGC	
N#C/C(=C\c1ccccn1)C(N)=O	71317	WPJNFUOJIMCLKK-FNORWQNLSA-N	173.175	0.474	50	30	ACGC	
C[C@@]1(CCl)OC[C@@H](CO)O1	1998914	LOMFXRJCLQQSJH-PHDIDXHHSA-N	166.604	0.349	50	30	ACGC	
O=P(O)(O)CBr	81127970	OYWFWDQOWQBTHK-UHFFFAOYSA-N	174.918	0.517	50	30	ACGC	in-vitro
CCOC(=O)[C@H](Cl)NC(C)=O	140530853	CHYHOSYHUSIVCU-RXMQYKEDSA-N	179.603	0.251	50	30	ACGC	
Cn1nccc1NC=C(C#N)C#N	116247	PNAHFCNWDASRDO-UHFFFAOYSA-N	173.179	0.763	50	30	ACGC	
Cn1nc(C(=O)NN)c2ccccc21	149109948	OTESFSDCTOGGRY-UHFFFAOYSA-N	190.206	0.177	50	30	ACGC	
COC(=O)C1=C(NNC(C)=O)CCC1	39084592	HFEFJRVLNCQYCX-UHFFFAOYSA-N	198.222	0.238	50	30	ACGC	
O=CC1=CC2(CC1)OCCO2	95930925	IYIRPDXGYOYEAL-UHFFFAOYSA-N	154.165	0.649	50	30	ACGC	
CC#CCN=C=O	238032173	RIXSLNBQNSTNSE-UHFFFAOYSA-N	95.101	0.346	50	30	ACGC	
O=C(Cl)n1cc(F)c(O)nc1=O	39056998	UCCCNAVMLDLYQC-UHFFFAOYSA-N	192.533	0.295	50	30	ACGC	
C[C@]1(CCl)OC[C@@H](CO)O1	1998915	LOMFXRJCLQQSJH-RITPCOANSA-N	166.604	0.349	50	30	ACGC	
CCOC(=O)/C(C#N)=C1\CC[C@@H]2O[C@H]12	34552680	IMIUNGKUNLNFFK-PUCWJLDJSA-N	193.202	0.931	50	30	ACGC	
COC(=O)[C@H](Cl)[C@@H]1CCOC1	50977825	DAZNCURYSGXYCT-PHDIDXHHSA-N	178.615	0.803	50	30	ACGC	in-vitro
C[C@H](Cl)[S@](=O)O	31391666	ZUQKROYNVKICEM-UWTATZPHSA-N	128.580	0.793	50	30	ACGC	
CN(N)C(=O)c1ccncc1	34561360	ZPXUPNFFWCPHBL-UHFFFAOYSA-N	151.169	0.027	50	30	ACGC	
O=C(CCCl)NC(=O)CCCl	135862393	AEDGUGLDMPHFDW-UHFFFAOYSA-N	198.049	0.887	50	30	ACGC	
O=C(Cl)OCCN1CCOCC1	142183087	LVILUBGGBUNYPQ-UHFFFAOYSA-N	193.630	0.694	50	30	ACGC	
CN1CC[C@@H](CBr)C1=O	306868040	QIKKHHFCKXVJRL-YFKPBYRVSA-N	192.056	0.860	50	30	ACGC	
COC(=O)c1nn(C)c(C)c1N=C=O	958720359	XWKBMNLFFHVDQU-UHFFFAOYSA-N	195.178	0.482	50	30	ACGC	
CN(C)C=NNC(=O)c1ccccc1	13132731	GSFGIKDRUYNWIW-UHFFFAOYSA-N	191.234	0.921	50	30	ACGC	
CC(C)(C(=O)Cl)S(C)(=O)=O	69714571	WVAXTZRTHGFVMU-UHFFFAOYSA-N	184.644	0.575	50	30	ACGC	
CC(=O)OC/C=C(/C)C=O	5179012	LPDDKAJRWGPGSI-UTCJRWHESA-N	142.154	0.695	50	30	ACGC	
CC(=O)N(CCCl)N=O	5196709	HPVMVBSBKXPUMG-UHFFFAOYSA-N	150.565	0.755	50	30	ACGC	
O=CN(CCCl)CCCl	1995878	WOTKECVLVPVNQJ-UHFFFAOYSA-N	170.039	0.922	50	30	ACGC	
CC[C@H](COC)N=C=O	70621283	AVJUKCDKRZHZDU-ZCFIWIBFSA-N	129.159	0.747	50	30	ACGC	
OC[C@@H](F)Cl	81914732	LRACLFFCXOEWLG-UWTATZPHSA-N	98.504	0.513	50	30	ACGC	
CN1C(=O)OC(=O)C12CCC2	307406319	DIXOJLUGEPJTQU-UHFFFAOYSA-N	155.153	0.518	50	30	ACGC	
CN(C)CCOCCCl	82163150	COHCCEUCWRGQLO-UHFFFAOYSA-N	151.637	0.803	50	30	ACGC	in-vitro
Cc1cc(F)c(C)c(B(O)O)c1	238523894	QHZPEGKWLSVNGM-UHFFFAOYSA-N	167.976	0.122	50	30	ACGC	
O=S(=O)(CBr)C1CC1	667358713	RFYIDSWMIXUTAO-UHFFFAOYSA-N	199.069	0.916	50	30	ACGC	
N=C(N)N[C@H]1OC(CCl)=CS1	66338777	DVCZSAJCOLOQGB-YFKPBYRVSA-N	193.659	0.597	50	30	ACGC	
CC(=O)NC(=O)CBr	82506568	OWHMEXFXNKBTMM-UHFFFAOYSA-N	180.001	0.044	50	30	ACGC	
O=c1[nH]ccn2c(CCl)nnc12	669371720	TVCGYXGCCGQDON-UHFFFAOYSA-N	184.586	0.156	50	30	ACGC	
CCCNC(=S)NN(C)C(C)=O	39126347	VPUIPLULKCPNGT-UHFFFAOYSA-N	189.284	0.254	50	30	ACGC	
COC(=O)NC[Si](C)(OC)OC	196935491	VMXOUPKLOXFFLW-UHFFFAOYSA-N	193.275	0.246	50	30	ACGC	
O=S1(=O)CC(CBr)C1	214139853	GSTCKMBGUGAULZ-UHFFFAOYSA-N	199.069	0.426	50	30	ACGC	
COC[C@H](O)CBr	83822025	JVKQRGSQZKDSLQ-SCSAIBSYSA-N	169.018	0.389	50	30	ACGC	
Cl[C@@H]1CN2CCN1CC2	96301165	DJALXPSTJMBAIN-LURJTMIESA-N	146.621	0.183	50	30	ACGC	in-vitro
O=C(Cl)[C@@H]1CCS(=O)(=O)C1	39056608	FXGMEXPHHNLIII-SCSAIBSYSA-N	182.628	0.187	50	30	ACGC	
COC(=O)N1C=C(C=O)CC1	39062811	ZUCGWYMLVMUVIZ-UHFFFAOYSA-N	155.153	0.541	50	30	ACGC	
CN(CCCl)S(C)(=O)=O	71083113	XGGXNNNSOVWLJO-UHFFFAOYSA-N	171.649	0.117	50	30	ACGC	in-vitro
C[C@@H]1CN(C(=O)CCl)[C@@H](C)O1	45787438	NBPOAFWRBUQKGZ-PHDIDXHHSA-N	177.631	0.819	50	30	ACGC	
O=C(CCl)[C@@H]1CCOC1=O	21983296	OXSGDNOEYIMBQS-BYPYZUCNSA-N	162.572	0.357	50	30	ACGC	
CC1(CN=C=O)COC1	95763598	KXRSSLDTHCSJMO-UHFFFAOYSA-N	127.143	0.359	50	30	ACGC	
CCOCCNC(=O)CCl	15012200	YLIRDTAIFTUCQT-UHFFFAOYSA-N	165.620	0.378	50	30	ACGC	
CCCC(=O)[C@@H](Cl)CO	34617723	WHSGLNPIAHRFOB-YFKPBYRVSA-N	150.605	0.955	50	30	ACGC	
ClCCCc1nnn[nH]1	2546989	BEFJEPIMKQDCBC-UHFFFAOYSA-N	146.581	0.371	50	30	ACGC	
NNC(=O)Nc1ccc2c(c1)OCO2	36947991	AEVPORUAGITDBX-UHFFFAOYSA-N	195.178	0.411	50	30	ACGC	in-vitro
C[Si](C)(C)OCCO	195755848	LCUMNKGLHJRIMH-UHFFFAOYSA-N	134.251	0.830	50	30	ACGC	
C[C@H](CCl)C(=O)O	6036501	AWSSTZZQBPIWKZ-GSVOUGTGSA-N	122.551	0.946	50	30	ACGC	
O=C1CC2(CC2)CC(=O)O1	113485735	OJDBETFKJUMMEV-UHFFFAOYSA-N	140.138	0.630	50	30	ACGC	
CS(=O)(=O)OC[C@H](F)Cl	2265384922	HLHAXYFPWXQRAB-VKHMYHEASA-N	176.596	0.497	50	30	ACGC	
COC(=O)N(CCCl)N=O	5647924	ZIVWROYTZSSKDC-UHFFFAOYSA-N	166.564	0.975	50	30	ACGC	
CC(=O)C(=O)Br	39125511	WHXBZHDMVFKGMV-UHFFFAOYSA-N	150.959	0.497	50	30	ACGC	
[C-]#[N+][C@@H](CSC)C(=O)OC	95697989	KVSWZLHAHNWLGR-YFKPBYRVSA-N	159.210	0.810	50	30	ACGC	
OCc1cc(CCl)no1	104714717	LUVJOTYECLBJJC-UHFFFAOYSA-N	147.561	0.906	50	30	ACGC	
C#CCOC(=O)C(=C)C#N	33506707	UVTYYXOSOUBFIW-UHFFFAOYSA-N	135.122	0.243	50	30	ACGC	
COC(=O)[C@@H]1C[C@H]1Br	142008139	HSVUTKNZCLEVQM-QWWZWVQMSA-N	179.013	0.943	50	30	ACGC	
Br[C@H]1[C@@H]2CNC[C@H]12	536947983	UMKRSNXAKMSWQP-SCDXWVJYSA-N	162.030	0.599	50	30	ACGC	
CCC(=O)C(=O)CBr	39128070	KCPZXQJOPZIONM-UHFFFAOYSA-N	179.013	0.930	50	30	ACGC	
O=C(O)[C@H]1C[C@H]1Cl	39642211	KIOFZHBEJQGHPB-STHAYSLISA-N	120.535	0.698	50	30	ACGC	
O=C=N[C@H]1CCCCO1	5133891	VXVWIRKAABQIGS-ZCFIWIBFSA-N	127.143	0.849	50	30	ACGC	in-vitro
CC(=O)NNc1cc(C)no1	45813971	LQTVCSYMMDBTFP-UHFFFAOYSA-N	155.157	0.446	50	30	ACGC	
CN1CC[C@@H](Cl)C1=O	88189958	PQKMUKHMGLBPKG-SCSAIBSYSA-N	133.578	0.456	50	30	ACGC	
CN1CCC[C@@H]1CCN=C=O	39080575	KUPACVRFLRQPJB-MRVPVSSYSA-N	154.213	0.807	50	30	ACGC	
CCC(=O)[C@@H](Cl)CCO	39125723	ZFUVOVCVJIAPGR-YFKPBYRVSA-N	150.605	0.955	50	30	ACGC	
CC(=O)[C@H]1C[C@H](Cl)CN1C	39115714	OHKDLEVCIHLDMT-NKWVEPMBSA-N	161.632	0.887	50	30	ACGC	
O=C1C[C@@H](Cl)C(=O)O1	100085476	RIHWJROUZAYQGA-UWTATZPHSA-N	134.518	0.067	50	30	ACGC	
C[C@H]1S[C@H](C)C(=O)OC1=O	238856534	WEIPNKQYQWXLPB-QWWZWVQMSA-N	160.194	0.580	50	30	ACGC	in-vitro
COC(=O)[C@@H](Cl)CC#N	39119502	IYNCGUHFTXEIKK-BYPYZUCNSA-N	147.561	0.680	50	30	ACGC	
CCOC(=O)/C(C#N)=C1\CC[C@H]2O[C@H]12	100136151	IMIUNGKUNLNFFK-VRIGTBSNSA-N	193.202	0.931	50	30	ACGC	
CON=C[C@@H]1CC(=O)NC(C)=C1C#N	254350933	TVSMFHIAPHFYDO-ZETCQYMHSA-N	193.206	0.552	50	30	ACGC	
CSC1=CC(=O)OC1=O	141992140	ZXSUNPYBGKFGSY-UHFFFAOYSA-N	144.151	0.317	50	30	ACGC	
Cn1cccc1[C@@H](O)C#N	100228841	XNXMFKDJDLFWNX-ZETCQYMHSA-N	136.154	0.582	50	30	ACGC	
CCOC(=O)[C@@H]1C[C@H]1C(=O)Cl	39056520	NTNBNHCYSBPWGE-RFZPGFLSSA-N	176.599	0.951	50	30	ACGC	
CN(C)/C(C#N)=C/C#N	39073482	LFDDDMGBJBLSMD-ZZXKWVIFSA-N	121.143	0.479	50	30	ACGC	
O=C(O)[C@@H]1C[C@@H]1Cl	39642216	KIOFZHBEJQGHPB-GBXIJSLDSA-N	120.535	0.698	50	30	ACGC	
N#C[C@@]1(N=C=O)CCOC1	125205839	HDTKJZGKLQOWFB-LURJTMIESA-N	138.126	0.005	50	30	ACGC	
COc1cccc(/C=C/B(O)O)c1	198967164	VMKLFIODENULHK-AATRIKPKSA-N	177.996	0.720	50	30	ACGC	
O=C1C=CCC(=O)O1	98049064	SYIUWAVTBADRJG-UHFFFAOYSA-N	112.084	0.016	50	30	ACGC	
COC1CN(C(=O)Cl)C1	685966701	KAHMVCPHJREBGK-UHFFFAOYSA-N	149.577	0.676	50	30	ACGC	
O=CC1=CCCN2CCC[C@H]12	39062153	JJSJBRXWYLDVAQ-SECBINFHSA-N	151.209	0.980	50	30	ACGC	
CN1CCC2(CC1)CC(=O)OC2=O	59093927	XMAHOWNZRCMJQB-UHFFFAOYSA-N	183.207	0.172	50	30	ACGC	in-vitro
[C-]#[N+][C@H](CSC)C(=O)OC	95697988	KVSWZLHAHNWLGR-RXMQYKEDSA-N	159.210	0.810	50	30	ACGC	
Cl[C@@H]1[C@@H](Cl)N2CCN1CC2	100053870	JEJWKUKBGZUKQK-WDSKDSINSA-N	181.066	0.747	50	30	ACGC	
O=C(Cl)N1CCOC1=O	39055976	OZJANYSOGASXNQ-UHFFFAOYSA-N	149.533	0.797	50	30	ACGC	
Cc1ccc2ccc(B(O)O)cc2n1	202685748	HSLSXKLUSRIKND-UHFFFAOYSA-N	187.007	0.223	50	30	ACGC	
NN(CCO)C(=O)Nc1ccccc1	75597889	PXHURKVXWKRKBR-UHFFFAOYSA-N	195.222	0.387	50	30	ACGC	
NNC(=O)C1CC(F)(F)C1	215802903	SCJLTXNQZYRZDG-UHFFFAOYSA-N	150.128	0.022	50	30	ACGC	
NC[C@@H]1C[C@H]1Cl	694395793	FSYCLLVNDVLXPJ-IUYQGCFVSA-N	105.568	0.572	50	30	ACGC	
COC(=O)SC#N	137254111	LPGKEDPOWNKBJX-UHFFFAOYSA-N	117.129	0.967	50	30	ACGC	
N#CC1CN(C(=O)Cl)C1	958678990	PVSXFUFHXDNIOG-UHFFFAOYSA-N	144.561	0.801	50	30	ACGC	
CN(C)C(=O)CC(=O)CCl	96346895	RIDCTRJRLKHAEE-UHFFFAOYSA-N	163.604	0.273	50	30	ACGC	
Nc1nnc(CCl)o1	227552042	QUVZLQURIITQSG-UHFFFAOYSA-N	133.538	0.391	50	30	ACGC	
C=CCNC(=O)/C(C#N)=C/N(C)C	2162924	FLTWGDTUGUKNMQ-BQYQJAHWSA-N	179.223	0.258	50	30	ACGC	
CN(C)CCC(=O)Cl	34236979	IUNZBFGNHKODEU-UHFFFAOYSA-N	135.594	0.704	50	30	ACGC	in-vitro
C[C@H]1NC=C2C(=O)OCCC2=C1C=O	30727017	GLNRAZLQBMAROT-ZCFIWIBFSA-N	193.202	0.304	50	30	ACGC	biogenic,in-vitro
O=[S@]1OC[C@@H](CCl)O1	5192278	RGDJXHLNJJZNGO-KQONEMSQSA-N	156.590	0.219	50	30	ACGC	
OC[C@@H](O)CCCCBr	90627730	LPVGZZSFMIEXDY-LURJTMIESA-N	197.072	0.905	50	30	ACGC	
ClCc1nnnn1CC1CC1	54743945	JCOHNCWEPZPMNL-UHFFFAOYSA-N	172.619	0.822	50	30	ACGC	in-vitro
CCCOC(=O)[C@@H]1CCC[C@]1(O)C#N	100278173	REXSPVBUKGTQIS-WPRPVWTQSA-N	197.234	0.994	50	30	ACGC	
CCN1CCO[C@H](CCl)C1	57217751	YVALTHSXYFIFRQ-SSDOTTSWSA-N	163.648	0.946	50	30	ACGC	in-vitro
CC(C)C(=N)NCC(=O)Cl	39135995	LDDVKNXSWMRQND-UHFFFAOYSA-N	162.620	0.975	50	30	ACGC	
Nc1ccc2c(c1)C(=O)OC2=O	104372478	YJDUJNZZWJMRJT-UHFFFAOYSA-N	163.132	0.579	50	30	ACGC	
CCOC(=O)N[S@](=O)Cl	100087067	NPXQGSWEEBJVRB-VIFPVBQESA-N	171.605	0.550	50	30	ACGC	
C=C1C(=O)OO[C@@H]1C	141293240	AJHXYDCRWXLNNL-SCSAIBSYSA-N	114.100	0.420	50	30	ACGC	
C[C@@]12C=C[C@@H](C1)[C@H]1C(=O)OC(=O)[C@H]12	245204991	KNRCVAANTQNTPT-HEZDBXPZSA-N	178.187	0.898	50	30	ACGC	
COc1cccc2c1CC(=O)OC2=O	100288923	TYZOIXJBDMSRPO-UHFFFAOYSA-N	192.170	0.935	50	30	ACGC	
C[C@@]12C=C[C@@H](C1)[C@@H]1C(=O)OC(=O)[C@H]12	100446325	KNRCVAANTQNTPT-ZFVDQJKFSA-N	178.187	0.898	50	30	ACGC	
CN(C)/C=N/NC(=O)c1cccnc1	4323269	AMYBGNIFCQUIBG-YRNVUSSQSA-N	192.222	0.316	50	30	ACGC	
O=C1OC(=O)[C@@H]2C[C@H](Cl)C=C[C@H]12	199437067	PGGASBAOLMMPHM-NGJCXOISSA-N	186.594	0.870	50	30	ACGC	
COC(=O)C#CCCl	5996762	SQWTVWVBVHSZGM-UHFFFAOYSA-N	132.546	0.402	50	30	ACGC	in-vitro
CCOC(OCC)[C@@H](O)CCl	21990721	NMEDRIAZFORLQA-LURJTMIESA-N	182.647	0.985	50	30	ACGC	
C[C@@H](CCl)N=C=O	34369378	SVMHBOVTFNUJNI-BYPYZUCNSA-N	119.551	0.950	50	30	ACGC	
ClCc1nc(-c2nc[nH]n2)no1	22164002	MDUFSXNYEUKOQE-UHFFFAOYSA-N	185.574	0.594	50	30	ACGC	in-vitro
CN1[C@@H]2CC=C(C=O)[C@H]1CC2	39062088	RBEGGIYZLQOLPC-RKDXNWHRSA-N	151.209	0.978	50	30	ACGC	
C[C@@H](Cl)CN1CCOCC1	34467272	DRWDYJVXXHLJLZ-SSDOTTSWSA-N	163.648	0.946	50	30	ACGC	
C[C@@]1(C(=O)CCl)CCOC1=O	238473925	XUIQTILNWLIDIS-ZETCQYMHSA-N	176.599	0.748	50	30	ACGC	
C[C@@H]1C[C@@H](Cl)C(=O)O1	6031467	RQQWSVYYNYGIOF-QWWZWVQMSA-N	134.562	0.929	50	30	ACGC	
C[C@@H](O)C(=O)OCCCl	104732387	CGVGSQNGXZPVQF-SCSAIBSYSA-N	152.577	0.149	50	30	ACGC	in-vitro
[CH2][C@H]1O[C@H]1CBr	223484724	GMTWFNIPNDKOOT-DMTCNVIQSA-N	149.995	0.983	50	30	ACGC	
O=C=NCCn1cccn1	62822280	HHORCSCSSYXBGY-UHFFFAOYSA-N	137.142	0.219	50	30	ACGC	
CCCC=NNC(N)=O	256113428	YRBQCUYYYJZPKC-UHFFFAOYSA-N	129.163	0.441	50	30	ACGC	
O=C/C=C1/C=CC=CN1	100188725	FLTLKLZUZACKBY-DAXSKMNVSA-N	121.139	0.742	50	30	ACGC	
NS(=O)(=O)CCCCCl	31622989	JTGPQGWEMUOOCR-UHFFFAOYSA-N	171.649	0.294	50	30	ACGC	
Cc1coc2c1C(=O)OC(=O)C2	215519519	VWONJJTXQGNTDY-UHFFFAOYSA-N	166.132	0.828	50	30	ACGC	in-vitro
C[C@H](Cl)c1nnnn1C	96034639	CWEHTQHLQKTEKX-VKHMYHEASA-N	146.581	0.510	50	30	ACGC	in-vitro
C[C@@H](Cl)C(=O)C(=O)N(C)C	196967513	CKOLUOHISHIMAJ-SCSAIBSYSA-N	163.604	0.271	50	30	ACGC	
COCCOC(=O)N(C)CCl	238352506	BIWZVFPOEHHRJJ-UHFFFAOYSA-N	181.619	0.898	50	30	ACGC	
CCOC(=O)[C@H](Br)OC	146343434	APCUBDDQHWZUHL-SCSAIBSYSA-N	197.028	0.917	50	30	ACGC	
CC(C)NC(=O)/C(C#N)=C/N(C)C	3118324	UGAXIQPEPITUOJ-SOFGYWHQSA-N	181.239	0.480	50	30	ACGC	
CCOC(=O)/C(C#N)=C1\CC[C@H]2O[C@@H]12	34552681	IMIUNGKUNLNFFK-BXELRRQVSA-N	193.202	0.931	50	30	ACGC	
NNC(=O)c1ccc([N+](=O)[O-])s1	37387906	HYYOPSIKJXWRID-UHFFFAOYSA-N	187.180	0.260	50	30	ACGC	
CCOC(=O)NN=C(C)C(=O)OC	396140025	VARPYWYUMLJXPX-UHFFFAOYSA-N	188.183	0.281	50	30	ACGC	
CN1C=C(C#N)CC(C(N)=O)=C1	39063550	NPUFZEYCRCTICQ-UHFFFAOYSA-N	163.180	0.099	50	30	ACGC	
O=C(CCl)c1cc[nH]n1	39054721	GCKBWDKTZSCAAE-UHFFFAOYSA-N	144.561	0.831	50	30	ACGC	
CC(C)C(=O)NNC(=O)NC1CC1	39125832	IWVGESFYBKMUQB-UHFFFAOYSA-N	185.227	0.135	50	30	ACGC	
CC1(N=C=O)CC1	59208879	FYORXHQVJPQLQE-UHFFFAOYSA-N	97.117	0.875	50	30	ACGC	
Cc1csc(C(=O)NN)n1	21987319	KRXWBFGOEMMEMO-UHFFFAOYSA-N	157.198	0.055	50	30	ACGC	
COC(=O)c1cn(CCCl)nn1	95883938	VSACTBJWIPIVCR-UHFFFAOYSA-N	189.602	0.304	50	30	ACGC	
CCOC(=O)CNC(=O)OCCl	238284376	DJRMGWLTIZGAOF-UHFFFAOYSA-N	195.602	0.472	50	30	ACGC	
C=CC(=O)OC[C@H](O)CCl	2510305	POTYORUTRLSAGZ-RXMQYKEDSA-N	164.588	0.315	50	30	ACGC	
N#C[C@@H](O)C1CCC2(CC1)OCCO2	100546193	BTYPCXGSSQRXME-SECBINFHSA-N	197.234	0.804	50	30	ACGC	in-vitro
COC(=O)C(O)=C(C#N)C#N	526059813	NNCRVOLAYYAHBM-UHFFFAOYSA-N	152.109	0.019	50	30	ACGC	
NNC(=O)Nc1ccc(C(=O)O)cc1	20216355	QZSULKMQGLJLFY-UHFFFAOYSA-N	195.178	0.380	50	30	ACGC	in-vitro
N[C@H](CCCl)C(=O)O	88189461	JIUHDQRXTPIQSV-GSVOUGTGSA-N	137.566	0.027	50	30	ACGC	
O=c1[nH]nc(CCl)s1	96034589	YSINAFHQRGZTEH-UHFFFAOYSA-N	150.590	0.570	50	30	ACGC	in-vitro
N#C[C@H](O)c1ccccn1	100186200	QUNRUINSQUUCSU-ZETCQYMHSA-N	134.138	0.639	50	30	ACGC	
NC(=O)N1CCC[C@H]1C(=O)Cl	39056536	VGIRVSCYLLHMKT-BYPYZUCNSA-N	176.603	0.295	50	30	ACGC	
Cc1cc(B(O)O)sc1C	307718864	MDQAKTAYVKMMSH-UHFFFAOYSA-N	156.015	0.045	50	30	ACGC	
C[C@H](Cl)C(=O)NC(C)(C)CO	40800251	KQFNHKRIDIAMPZ-YFKPBYRVSA-N	179.647	0.501	50	30	ACGC	in-vitro
CC(C)C(=O)NNc1ccc(N)cn1	95942469	QXAKCSIDBHKMIP-UHFFFAOYSA-N	194.238	0.763	50	30	ACGC	
O=C=NCCC(F)F	213538611	XXTZXRHKXLYZTE-UHFFFAOYSA-N	121.086	0.977	50	30	ACGC	
C/C=C(\C=O)N1CCOCC1	100100407	GEPUCAJYRPDMSI-KRXBUXKQSA-N	155.197	0.421	50	30	ACGC	
N#CC1=CNCCC1	32133873	UWFYMNQYYJQPRQ-UHFFFAOYSA-N	108.144	0.777	50	30	ACGC	
CN(C)CC(C)(C)[C@@H](O)C#N	95829049	SIKJSEBSRRCVND-ZETCQYMHSA-N	156.229	0.459	50	30	ACGC	
CC1=C(CN=[N+]=[N-])C(=O)OC1=O	100549818	GCSGIJHGVFHNQM-UHFFFAOYSA-N	167.124	0.697	50	30	ACGC	
COc1nc(N)nc(CCl)n1	6019374	UTSJRGNBQUPGPU-UHFFFAOYSA-N	174.591	0.201	50	30	ACGC	
COc1ccc(C=NNC(N)=O)cc1	16893537	OGMVRNVTFDFHHE-UHFFFAOYSA-N	193.206	0.697	50	30	ACGC	
CCCC(=O)[C@H](Cl)CO	34617722	WHSGLNPIAHRFOB-RXMQYKEDSA-N	150.605	0.955	50	30	ACGC	
CC(=O)NNc1ccnc(Cl)n1	35069288	BZZQRDWABAZSCK-UHFFFAOYSA-N	186.602	0.593	50	30	ACGC	
O=C(OCCCl)[C@H](O)CCF	2000297	PYNDSUPYXXIHRB-RXMQYKEDSA-N	184.594	0.489	50	30	ACGC	
NC(=O)N(CCBr)N=O	5112860	MHVNFDDSDACNJV-UHFFFAOYSA-N	196.004	0.443	50	30	ACGC	
CCNc1cc(C(=O)NN)ccn1	39119582	GABHVXUZWQTOHL-UHFFFAOYSA-N	180.211	0.117	50	30	ACGC	
CC1=NC=C[C@H]2NC(=O)C(C#N)=C[C@@H]12	49942667	ZVPAFGBMXBIKHD-DTWKUNHWSA-N	187.202	0.539	50	30	ACGC	
O=C1CC[C@H](C(=O)Cl)O1	5133427	NNDIFJWAEOADAZ-GSVOUGTGSA-N	148.545	0.457	50	30	ACGC	
CO[C@H]1OC[C@@H](CCl)O1	196787305	RURIZOFQIQCPBN-UHNVWZDZSA-N	152.577	0.571	50	30	ACGC	
COC(=O)[C@@H]1CCCN1C(=O)Cl	32168833	YUCJQEDFNSFKNN-YFKPBYRVSA-N	191.614	0.983	50	30	ACGC	
O=C=NC[C@@H]1CCCCO1	62822115	BOVNNVWMEMJNEH-ZETCQYMHSA-N	141.170	0.891	50	30	ACGC	
CC(=O)[C@@H]1C[C@@H](Cl)CN1C	39115716	OHKDLEVCIHLDMT-RQJHMYQMSA-N	161.632	0.887	50	30	ACGC	
CCOC(=O)NNC(=O)Cl	5650611	OUYPEOIQRFGKLG-UHFFFAOYSA-N	166.564	0.596	50	30	ACGC	
NC[C@@H]1C[C@@H]1Cl	694395792	FSYCLLVNDVLXPJ-IMJSIDKUSA-N	105.568	0.572	50	30	ACGC	
O=C1C[C@@H](CBr)CO1	237991083	CIWABXYBFHMJFP-BYPYZUCNSA-N	179.013	0.944	50	30	ACGC	
C=CC[N+](C)(C)C[C@H](O)CCl	6068201	FGJYHLJCGCUKHQ-MRVPVSSYSA-N	178.683	0.849	50	30	ACGC	
COC(=O)[C@@H](Cl)[C@@H]1CCOC1	50977828	DAZNCURYSGXYCT-RITPCOANSA-N	178.615	0.803	50	30	ACGC	in-vitro
C[C@]12C[C@H]1C(=O)OC2=O	118446808	JIKCCJNIXCEKAW-DZSWIPIPSA-N	126.111	0.096	50	30	ACGC	
CC(=O)OCCCN=C=O	140252752	ZILVRKDYRLOKBJ-UHFFFAOYSA-N	143.142	0.275	50	30	ACGC	
CO[C@H]1CN[C@H](CCl)C1	307567267	UAWGIVWICKXEAE-NTSWFWBYSA-N	149.621	0.602	50	30	ACGC	
CO[C@H](O)CCl	33605319	WDKOEMMQZYRXJH-VKHMYHEASA-N	110.540	0.190	50	30	ACGC	
NOCCBr	115092778	VNRCHSPQYNKHIQ-UHFFFAOYSA-N	139.980	0.272	50	30	ACGC	
[C-]#[N+]CC(C)(OC)OC	2265384682	IVTVYNFNUHGOJC-UHFFFAOYSA-N	129.159	0.915	50	30	ACGC	
NNC(=O)Cc1c(F)cccc1F	67796526	XXIXOULFNXEWSF-UHFFFAOYSA-N	186.161	0.497	50	30	ACGC	
N#CC1=CC=C[C@@H]2O[C@@H]12	100498976	GNFQBKOLHDJZIP-BQBZGAKWSA-N	119.123	0.774	50	30	ACGC	
O=C/C=C1/N=CC=CN1	95922411	JKXHBPMBUBQVAY-QHHAFSJGSA-N	122.127	0.214	50	30	ACGC	
CN(C)[C@@H]1COC[C@H]1Br	709445147	GWIYJJBRNZEKKP-PHDIDXHHSA-N	194.072	0.710	50	30	ACGC	
Nc1nc(CCl)no1	95764000	KKTPVUDJOZIMQJ-UHFFFAOYSA-N	133.538	0.391	50	30	ACGC	
COCC(=O)CCl	98210262	JLCZWDGDDGMLHA-UHFFFAOYSA-N	122.551	0.441	50	30	ACGC	in-vitro
CN(C(=O)Cl)N1CCNCC1	89212475	CBLPKXHKMGGBJU-UHFFFAOYSA-N	177.635	0.097	50	30	ACGC	
Br[C@@H]1[C@H]2CCNC[C@H]21	702623736	WDQDTQUASKJCTN-KVQBGUIXSA-N	176.057	0.989	50	30	ACGC	
CC(C)CC(=O)NCC(=O)Cl	11892208	SPYZGTHQFFDFLN-UHFFFAOYSA-N	177.631	0.914	50	30	ACGC	
COC(=O)[C@H](Cl)[C@H](C)O	32134404	ZDCDXBCIJDUWEO-IUYQGCFVSA-N	152.577	0.148	50	30	ACGC	
N#CC1=CCCO1	34109154	ZMMRMSTYDMIIAH-UHFFFAOYSA-N	95.101	0.814	50	30	ACGC	
[C-]#[N+][C@@H](C)CC(=O)OC	95698042	LYNKQPVWQDZAHG-YFKPBYRVSA-N	127.143	0.857	50	30	ACGC	
OB(O)C1=CCSCC1	205126673	PWPKMXAIUNSIKE-UHFFFAOYSA-N	144.004	0.062	50	30	ACGC	
C[C@@H](Cl)CNC(=O)CCl	238431980	OHGMOIQCKQPQNU-SCSAIBSYSA-N	170.039	0.969	50	30	ACGC	
CC[C@@]1(C)CC(=O)OC1=O	100890995	HRMQFEOLGGKZLJ-ZETCQYMHSA-N	142.154	0.876	50	30	ACGC	in-vitro
COC(=O)[C@H]1C[C@H]1Br	142008318	HSVUTKNZCLEVQM-IUYQGCFVSA-N	179.013	0.943	50	30	ACGC	
COC[C@@H](Cl)C(=N)N	95932285	AITXBCFIYBHOAW-GSVOUGTGSA-N	136.582	0.176	50	30	ACGC	
C[C@@H](N)C(=O)CCl	90760571	DZLZNJMNHPDMNK-GSVOUGTGSA-N	121.567	0.142	50	30	ACGC	
C[C@@H]1S[C@H](C)C(=O)OC1=O	238856535	WEIPNKQYQWXLPB-ZXZARUISSA-N	160.194	0.580	50	30	ACGC	in-vitro
COC(=O)[C@](C)(N)CCl	39072840	AMNWTQJMBQCSEO-RXMQYKEDSA-N	151.593	0.116	50	30	ACGC	
COC(=O)C[C@@](C)(O)CCl	104721968	ZHWGOPAJGDJKOA-ZCFIWIBFSA-N	166.604	0.539	50	30	ACGC	
CC[C@@H]1CC(=O)OC1=O	100060656	YRTGWRSQRUHPKX-SCSAIBSYSA-N	128.127	0.486	50	30	ACGC	
C[C@]12C(=O)OC(=O)[C@H]1[C@@H]1C=C[C@H]2C1	113290021	LTVUCOSIZFEASK-JTGULSINSA-N	178.187	0.898	50	30	ACGC	
N#CC1=CC(=O)CC1	34111812	FPQQNWAYKBBBLC-UHFFFAOYSA-N	107.112	0.799	50	30	ACGC	
CC(=O)CNC(=O)[C@@H](C)Cl	95348041	NKIPZMJZHFZHKH-RXMQYKEDSA-N	163.604	0.319	50	30	ACGC	in-vitro
N#CC(=O)N/N=C/c1cccnc1	204985088	FKSDHWHLYSJASL-IZZDOVSWSA-N	174.163	0.055	50	30	ACGC	
CC(=O)NNC(=N)c1cccnc1	39119567	CRARDCVLWGHRQV-UHFFFAOYSA-N	178.195	0.048	50	30	ACGC	
CCN1CCO[C@@H](CCl)C1	57217752	YVALTHSXYFIFRQ-ZETCQYMHSA-N	163.648	0.946	50	30	ACGC	in-vitro
CCC(=O)OO	95678342	CZPZWMPYEINMCF-UHFFFAOYSA-N	90.078	0.413	50	30	ACGC	
O=S1(=O)CCC[C@H]1CCl	104714318	LODJXYRWLRCSQQ-YFKPBYRVSA-N	168.645	0.802	50	30	ACGC	
O=C(Cl)N1CCCC1=O	39055993	UMLPONXXJIKBMA-UHFFFAOYSA-N	147.561	0.968	50	30	ACGC	
O=CC(=O)CBr	33607035	SRFTYAFYJJADPI-UHFFFAOYSA-N	150.959	0.149	50	30	ACGC	
CC(=N\O)/C(CCl)=N\O	111893379	ZBMQRQACJNHGNB-JOVCIAKGSA-N	150.565	0.906	50	30	ACGC	
CCN(N=O)C(=O)NC(C)=O	5845060	POAPJNZDGNPIOM-UHFFFAOYSA-N	159.145	0.246	50	30	ACGC	
CN(N)C(=O)Oc1ccccc1	34518975	JKTPENFGPKUYTP-UHFFFAOYSA-N	166.180	0.991	50	30	ACGC	
C=CCOC(=O)[C@H](O)CCl	104722332	ZUQYJMKCUZGICW-RXMQYKEDSA-N	164.588	0.315	50	30	ACGC	
CC(C)(C)OC(=O)N/C(C=O)=C\N	39094546	QQWZKCXNCNXPLI-XQRVVYSFSA-N	186.211	0.510	50	30	ACGC	
O=C/C=C1/C=CNC=N1	100097966	SDMIVQGHNMXIGM-KXFIGUGUSA-N	122.127	0.214	50	30	ACGC	
COCOCC#CCCl	104723917	OCZSTUOJXNLNPJ-UHFFFAOYSA-N	148.589	0.849	50	30	ACGC	
NP(N)(=O)NC(=O)c1ccccc1	79375411	QWRRQZBBXJTUIC-UHFFFAOYSA-N	199.150	0.442	50	30	ACGC	
C[C@@H](Br)C(=N)N	1437874	YMHRKSPCWUBBSS-UWTATZPHSA-N	151.007	0.706	50	30	ACGC	
C[C@H](O)COC(=O)CBr	6020842	YLKMTQHJTPXQOL-BYPYZUCNSA-N	197.028	0.305	50	30	ACGC	
COC(=O)[C@@H](Cl)[C@H]1CCOC1	50977834	DAZNCURYSGXYCT-WDSKDSINSA-N	178.615	0.803	50	30	ACGC	in-vitro
C[Si](O)(O)CCC(F)(F)F	195763050	HSYLDXYMZWLBLF-UHFFFAOYSA-N	174.194	0.995	50	30	ACGC	
O=C=N[C@H]1CCSC1	60161777	QHWLFULOSCBUMM-YFKPBYRVSA-N	129.184	0.828	50	30	ACGC	
Cc1c[nH]c2c1C(=O)OC(=O)C2	299805430	NUMIBJVKEGRLNK-UHFFFAOYSA-N	165.148	0.563	50	30	ACGC	
CON(C)C(=O)[C@@H](C)Cl	36825766	UYQRVYOYDVHKLP-SCSAIBSYSA-N	151.593	0.634	50	30	ACGC	
CC[C@H](O)CCl	32210329	VNBFUGOVQMFIRN-BYPYZUCNSA-N	108.568	0.996	50	30	ACGC	in-vitro
COC(=O)[C@@H]1CC/C(=C\C#N)N1	100204773	RKPPAGDTSUPCGI-KNIZRNDPSA-N	166.180	0.319	50	30	ACGC	
COC(OC)C(=O)CBr	114310418	LPKCAKAGYUWUQI-UHFFFAOYSA-N	197.028	0.569	50	30	ACGC	
O=C(Cl)OC[C@H]1COC(=O)O1	5134897	OBTAECLHONHFSZ-VKHMYHEASA-N	180.543	0.897	50	30	ACGC	
CSSC[C@H](N)C(=O)O	6928729	PYFNLWPQPNXHCS-VKHMYHEASA-N	167.255	0.410	50	30	ACGC	in-vivo
CC(=O)OCOC(=O)Cl	34369448	MULZXZRAWSJCCF-UHFFFAOYSA-N	152.533	0.882	50	30	ACGC	
NNC(=O)CC1=CCCCC1	45823815	RFVQJKURGYMZPD-UHFFFAOYSA-N	154.213	0.867	50	30	ACGC	
CN1CCN(CCN=C=S)CC1	23363318	QJSGVQKZKZYQQL-UHFFFAOYSA-N	185.296	0.337	50	30	ACGC	
COc1ccc(CNNC(C)=O)cc1	33864569	COVCNLSIMAWNIQ-UHFFFAOYSA-N	194.234	0.836	50	30	ACGC	
C=C[C@H](Cl)C(=O)OC	38265241	IVHPZRFUOVMVPT-BYPYZUCNSA-N	134.562	0.953	50	30	ACGC	in-vitro
CCN1CCC(=NNC(=O)OC)CC1	95921887	JEKMVCBZJGAKJS-UHFFFAOYSA-N	199.254	0.814	50	30	ACGC	
NC1CC(CCl)C1	238547937	BUWDHVVXLUJYHE-UHFFFAOYSA-N	119.595	0.963	50	30	ACGC	
O[C@H]1C[C@H](Br)C1	307459899	HWLHFIFQJICDNX-JPYJGEKTSA-N	151.003	0.905	50	30	ACGC	
CSC[C@@H](O)CCl	6019764	IIFURGVYJWZDRN-BYPYZUCNSA-N	140.635	0.949	50	30	ACGC	
C[S@@](=O)CCCl	1640818	LNSWATAJDLOYBE-LURJTMIESA-N	126.608	0.604	50	30	ACGC	
CCCC(=O)OO	100057705	LBAYFEDWGHXMSM-UHFFFAOYSA-N	104.105	0.803	50	30	ACGC	
O=CC1=C[C@@H](O)CCC1	38250892	URHLBJORXQXSQF-ZETCQYMHSA-N	126.155	0.657	50	30	ACGC	
COC(=O)[C@@H]1CCC[C@@H]1N=C=O	238334078	APZYXOSLRNFKIC-RQJHMYQMSA-N	169.180	0.664	50	30	ACGC	
C=CCCOc1cccc(B(O)O)c1	203529296	OTDUIBIWFWKPEZ-UHFFFAOYSA-N	192.023	0.321	50	30	ACGC	
CN(C)CCCNC(=O)CCl	5677745	HDGZOEPDTVOUCE-UHFFFAOYSA-N	178.663	0.293	50	30	ACGC	in-vitro
N[C@H]1CSSC[C@@H]1N	59142706	AFRIOMOMXPPZPG-IMJSIDKUSA-N	150.272	0.036	50	30	ACGC	
[C-]#[N+]C1(C(=O)OC)CC1	103840510	NMJKNWWIYIZUFZ-UHFFFAOYSA-N	125.127	0.611	50	30	ACGC	
C=C[C@@H](Cl)C(=O)OC	38265239	IVHPZRFUOVMVPT-SCSAIBSYSA-N	134.562	0.953	50	30	ACGC	in-vitro
COC(=O)CN(C)C(=O)Cl	143834938	BCFMQABJWVSRLR-UHFFFAOYSA-N	165.576	0.450	50	30	ACGC	
CN1CCO[C@@H](CCl)C1	57217749	UTYOOBRKCYPDAK-LURJTMIESA-N	149.621	0.556	50	30	ACGC	in-vitro
COC(=O)[C@@H]1O[C@@H]1CBr	34569714	KSVXJXLLDXUNQD-QWWZWVQMSA-N	195.012	0.322	50	30	ACGC	
O=C(N=C=S)[C@@H]1CCOC1	48628422	BNETZWZAQSQBPG-RXMQYKEDSA-N	157.194	0.652	50	30	ACGC	
C[C@@H]1NC(=O)N(CCCl)C1=O	299805204	CPTYMOQYIFLRJL-BYPYZUCNSA-N	176.603	0.166	50	30	ACGC	
CN(C)C(=O)F	2040622	IRSDGYFTDVBVAK-UHFFFAOYSA-N	91.085	0.638	50	30	ACGC	
C[C@@H](Cl)[S@](=O)O	31391662	ZUQKROYNVKICEM-REOHCLBHSA-N	128.580	0.793	50	30	ACGC	
CN(C)c1noc(CCl)n1	95883433	SOPQEQPJQATWPO-UHFFFAOYSA-N	161.592	0.874	50	30	ACGC	in-vitro
CCOC(=O)[C@@H](O)CBr	141269994	PGYLVERCTHVHET-BYPYZUCNSA-N	197.028	0.305	50	30	ACGC	in-vitro
CCOC(=O)[C@H](O)CBr	141270181	PGYLVERCTHVHET-SCSAIBSYSA-N	197.028	0.305	50	30	ACGC	in-vitro
O=C=NCCOC1CC1	714970839	NNSPKGLATJGIJY-UHFFFAOYSA-N	127.143	0.501	50	30	ACGC	
NCCSSCC(=O)O	33753723	BQRGTQZYMKFACX-UHFFFAOYSA-N	167.255	0.411	50	30	ACGC	
CC1(C)OC[C@H](C(=O)Cl)O1	34200135	LFLHAXOMFLJNJK-SCSAIBSYSA-N	164.588	0.903	50	30	ACGC	
O=C=NC(=O)c1ccc(O)cc1	39063465	GXEIVFFRQBOJJB-UHFFFAOYSA-N	163.132	0.868	50	30	ACGC	
CC[C@@H](C)OC(=O)NN	39270973	YALLLIUEAPCDCY-SCSAIBSYSA-N	132.163	0.385	50	30	ACGC	
BrCCOC1COC1	575434455	ZEFQQMJSBJJGPJ-UHFFFAOYSA-N	181.029	0.797	50	30	ACGC	
CCOc1c(C)[nH]c(C(=O)NN)c1C	45802936	BANYIRCSUQEULI-UHFFFAOYSA-N	197.238	0.634	50	30	ACGC	
O=C(Cl)C12CCN(CC1)C2	39056100	HCCVPYBRYJZKNL-UHFFFAOYSA-N	159.616	0.848	50	30	ACGC	
CC(=O)OC/C=C(\C)C=O	31317664	LPDDKAJRWGPGSI-ZZXKWVIFSA-N	142.154	0.695	50	30	ACGC	
O=CC1=C(O)CSC1=O	39061369	JRRMQXNOCYWHBA-UHFFFAOYSA-N	144.151	0.271	50	30	ACGC	
CC(=O)N1CC(C)=C(C#N)[C@H]1O	3120409	ZZFYITBLPUPDAC-MRVPVSSYSA-N	166.180	0.007	50	30	ACGC	
COC(=O)[C@@H]1C[C@@H](Cl)CN1	32250856	KIHQEVXNQJYINH-UHNVWZDZSA-N	163.604	0.129	50	30	ACGC	
COCCCCN=C=O	62822144	PTNXOYAQQFEKDU-UHFFFAOYSA-N	129.159	0.749	50	30	ACGC	
C[C@@H]1S[C@@H](C)C(=O)OC1=O	238856532	WEIPNKQYQWXLPB-IMJSIDKUSA-N	160.194	0.580	50	30	ACGC	in-vitro
CC(C)(C)[C@@H]1OCC[C@H]1C(=O)NN	306290361	QEATYYANKMYQAP-RNFRBKRXSA-N	186.255	0.428	50	30	ACGC	
CNc1ccc(Cl)cc1C(=O)NN	4277566	WTQPVZDWSQZMLH-UHFFFAOYSA-N	199.641	0.985	50	30	ACGC	
COC(=O)[C@@H]1C[C@H](Cl)CN1	32250862	KIHQEVXNQJYINH-WHFBIAKZSA-N	163.604	0.129	50	30	ACGC	
CCOC(CN=C=O)OCC	34195080	RCSHCHZJZUXQGW-UHFFFAOYSA-N	159.185	0.721	50	30	ACGC	
N#CC1=C(C#N)C(=O)C=CC1=O	100436809	DNXUGBMARDFRGG-UHFFFAOYSA-N	158.116	0.038	50	30	ACGC	
Cn1ccnc1C(=O)Cl	14807849	FYAOUFIFNWYZQR-UHFFFAOYSA-N	144.561	0.799	50	30	ACGC	
C[C@@]1(CBr)CNC(=O)O1	39091165	IYPLEACUUMKUFW-RXMQYKEDSA-N	194.028	0.880	50	30	ACGC	
COC(=O)[C@@H](Cl)C(=O)CCl	5997343	UTBKSYHAYRTIIN-BYPYZUCNSA-N	185.006	0.575	50	30	ACGC	
O=C(O)c1ccnc(CCl)n1	140694826	AOOYOHRLAMZZFM-UHFFFAOYSA-N	172.571	0.914	50	30	ACGC	
Cn1ccnc1N=C=O	75843881	CMCJLURTYJCCLY-UHFFFAOYSA-N	123.115	0.387	50	30	ACGC	
O=S(=O)(CCl)CCl	104730815	SQOGKEMZXNYTNN-UHFFFAOYSA-N	163.025	0.794	50	30	ACGC	in-vitro
CCOC(=O)[C@H]1O[C@@H]1C(=O)Cl	39056517	FGPIILQTNRSYKS-IMJSIDKUSA-N	178.571	0.082	50	30	ACGC	
Cc1nc(C(=O)Cl)no1	39055936	JSJLXRLKTNXIBP-UHFFFAOYSA-N	146.533	0.757	50	30	ACGC	
Br[C@@H]1[C@@H]2CNC[C@@H]21	2265384756	UMKRSNXAKMSWQP-ZXFHETKHSA-N	162.030	0.599	50	30	ACGC	
CCOO[C@@H](C)OO	95777335	PKLRNOIIJPCHSR-BYPYZUCNSA-N	122.120	0.790	50	30	ACGC	
CC(=O)OCI	36459516	NZDJTVSTIFYISQ-UHFFFAOYSA-N	199.975	0.942	50	30	ACGC	in-vitro
C=C[C@@H](Cl)C(=O)O	98092263	JQEARNLFCSAAPV-GSVOUGTGSA-N	120.535	0.864	50	30	ACGC	
CC(C)(C)C(=O)C(C)(C)O[SiH3]	607717280	BPEOSGPXLUWUQZ-UHFFFAOYSA-N	174.316	0.677	50	30	ACGC	
CC(=O)[C@H](Br)CO	39127878	WJLOUABTPZWRQM-SCSAIBSYSA-N	167.002	0.331	50	30	ACGC	
OC1CCN(CCCl)CC1	40989963	UFVRDHLEJYEHCE-UHFFFAOYSA-N	163.648	0.682	50	30	ACGC	
CON=C[C@H]1CC(=O)NC(C)=C1C#N	254350927	TVSMFHIAPHFYDO-SSDOTTSWSA-N	193.206	0.552	50	30	ACGC	
COC(=O)[C@@H](Cl)[C@@H](C)O	32134398	ZDCDXBCIJDUWEO-DMTCNVIQSA-N	152.577	0.148	50	30	ACGC	
O=C(O)[C@H]1C[C@@H]1Cl	39642214	KIOFZHBEJQGHPB-HRFVKAFMSA-N	120.535	0.698	50	30	ACGC	
N#CC(N)=C(C#N)N=Cc1cccnc1	2265233840	WMHWWJVZIGPOKI-UHFFFAOYSA-N	197.201	0.718	50	30	ACGC	
O[C@@H]1C[C@@H]1Cl	39616856	FPRZZQZXVVNHMP-STHAYSLISA-N	92.525	0.358	50	30	ACGC	
Cl[C@H]1OO[C@H](Cl)OO1	263589090	DGMGQTHVKHLHAJ-IJWZVTFUSA-N	160.940	0.941	50	30	ACGC	
O=C(Cl)c1nsnc1O	39056261	XJDRNTUHTAEDJX-UHFFFAOYSA-N	164.573	0.623	50	30	ACGC	
CC(C)(C)c1cc(C(=O)NN)no1	122048	FLZYTJCMZUHHGM-UHFFFAOYSA-N	183.211	0.576	50	30	ACGC	
CC1=NC=C[C@H]2NC(=O)C(C#N)=C[C@H]12	49942665	ZVPAFGBMXBIKHD-RKDXNWHRSA-N	187.202	0.539	50	30	ACGC	
OC[C@H](O)CCCCBr	90627709	LPVGZZSFMIEXDY-ZCFIWIBFSA-N	197.072	0.905	50	30	ACGC	
Cn1ccc2c1C(=O)OC2=O	100202081	SFORCMGIMQSRNZ-UHFFFAOYSA-N	151.121	0.336	50	30	ACGC	
OCCSCCCl	1656162	ZGFPMAMREQRRRB-UHFFFAOYSA-N	140.635	0.951	50	30	ACGC	
BrCCc1nnn[nH]1	88189822	IUORGRIVAYGYGM-UHFFFAOYSA-N	177.005	0.137	50	30	ACGC	
CC(=O)/C(CCl)=N\O	100061366	YOZWFAYEDBGMDN-XQRVVYSFSA-N	135.550	0.644	50	30	ACGC	
CN(C)[C@@H]1COC[C@@H]1Br	709445134	GWIYJJBRNZEKKP-NTSWFWBYSA-N	194.072	0.710	50	30	ACGC	
O=C1C[C@H](O)[C@@H](CBr)O1	59775327	DTEXHXHETLVPKE-IUYQGCFVSA-N	195.012	0.058	50	30	ACGC	
C[C@@]12C=C[C@@H](C1)[C@H]1C(=O)OC(=O)[C@@H]12	59796742	KNRCVAANTQNTPT-MPXCPUAZSA-N	178.187	0.898	50	30	ACGC	
C[C@@H](Cl)CC(=O)CN	216712293	ZYXIWKVGMGTGOQ-SCSAIBSYSA-N	135.594	0.532	50	30	ACGC	
O=C([C@H](F)Cl)N1CCOCC1	39055016	CKPUHFUQFHBWAJ-YFKPBYRVSA-N	181.594	0.380	50	30	ACGC	
CN1CC[C@H](Cl)C1=O	88189957	PQKMUKHMGLBPKG-BYPYZUCNSA-N	133.578	0.456	50	30	ACGC	
CO[Si](C)(CN=C=O)OC	196213931	HENJUOQEQGBPSV-UHFFFAOYSA-N	161.233	0.226	50	30	ACGC	
O=C1C=C(CBr)C(=O)O1	136129018	CJVWLWZFJHALCH-UHFFFAOYSA-N	190.980	0.391	50	30	ACGC	
CCO/C=C/C=O	5650474	SYIPIVAOEFWMBA-HWKANZROSA-N	100.117	0.736	50	30	ACGC	
CC1(C)SCC(=O)OC1=O	219051370	RSWNBRATJQQBEC-UHFFFAOYSA-N	160.194	0.582	50	30	ACGC	in-vitro
OCC#CCBr	39234478	JAEJDMMPAMYPCZ-UHFFFAOYSA-N	148.987	0.377	50	30	ACGC	
C[C@@H](N)CCCl	44410572	GCAMQFBODZNEGE-SCSAIBSYSA-N	107.584	0.963	50	30	ACGC	
CN1CCN(C(=O)Cl)CC1=O	34593221	POYMRPHGMPACFZ-UHFFFAOYSA-N	176.603	0.119	50	30	ACGC	
O=c1cc(CBr)nc[nH]1	72190569	IVXZRMBGDXKOHW-UHFFFAOYSA-N	189.012	0.665	50	30	ACGC	
CCC(=O)CNC(=O)CCl	75261118	BMGUIRBWXZPLSA-UHFFFAOYSA-N	163.604	0.321	50	30	ACGC	in-vitro
O=C/C=C/O	105141578	GMSHJLUJOABYOM-OWOJBTEDSA-N	72.063	0.257	50	30	ACGC	
O=C([C@@H](F)Cl)N1CCOCC1	39055015	CKPUHFUQFHBWAJ-RXMQYKEDSA-N	181.594	0.380	50	30	ACGC	
Cc1csc(NNC=O)n1	2010455	YVPLYHWVALRLFV-UHFFFAOYSA-N	157.198	0.524	50	30	ACGC	
CON(C)C(=O)[C@H](C)Cl	36825765	UYQRVYOYDVHKLP-BYPYZUCNSA-N	151.593	0.634	50	30	ACGC	
C[C@H]1CN(C(=O)CCl)[C@@H](C)O1	45787440	NBPOAFWRBUQKGZ-NTSWFWBYSA-N	177.631	0.819	50	30	ACGC	
CC(=O)N(C)C(=O)Cl	34410210	XHLLMVSEBKZODD-UHFFFAOYSA-N	135.550	0.824	50	30	ACGC	
O=C1COC[C@@H]1Br	38973157	JETNEFPERUVFID-VKHMYHEASA-N	164.986	0.349	50	30	ACGC	
C/C=C/S(=O)(=O)F	116269213	MVDCJNQUGZIGOR-NSCUHMNNSA-N	124.136	0.819	50	30	ACGC	
COCCC(=O)CCl	78210653	GVTCSZPWDYDCIY-UHFFFAOYSA-N	136.578	0.831	50	30	ACGC	
Cc1cc2cccc(B(O)O)c2n1C	196236355	ZKBDZVUNYSRPFU-UHFFFAOYSA-N	189.023	0.167	50	30	ACGC	
CO[C@H]1OC[C@H](CCl)O1	196787276	RURIZOFQIQCPBN-WHFBIAKZSA-N	152.577	0.571	50	30	ACGC	
CS[S@@](C)=O	6019807	RRGUMJYEQDVBFP-RXMQYKEDSA-N	110.203	0.643	50	30	ACGC	endogenous,in-man
O=C1CC2(CC2)C(=O)O1	79130946	SKVLBFICUWJKDV-UHFFFAOYSA-N	126.111	0.240	50	30	ACGC	
NC1(CCl)CCOCC1	230742317	QADWSFWIOQNKAH-UHFFFAOYSA-N	149.621	0.733	50	30	ACGC